Download citation
Download citation
link to html
Four new inorganic uranyl chromates were obtained by evaporation and hydrothermal methods: [(CH3)2NH2]2[(UO2)2(CrO4)3(H2O)](H2O) (1), K(Rb0.6K0.4)[(UO2)2(CrO4)3(H2O)](H2O)3 (2) [(CH3)3CNH3]2[(UO2)2(CrO4)3H2O] (3), [(CH3)2NH2]4[(UO2)2(CrO4)3H2O]2(H2O) (4). Their structures are based on two-dimensional chiral or achiral units with the composition [(UO2)2(CrO4)3(H2O)]2- and two types of topologies (A or/and B). The structural architecture of (4) is unique amongst all known uranyl-based structures, and unusual among hybrid organic/inorganic structures in general as it contains layers of identical composition, but of different topology. The unique structural configurations and non-centrosymmetry in (1) and (4) is governed by selective formation of hydrogen bonding rather than by the formation of hydrophobic and hydrophilic zones in the organic interlayer. It is shown that chiral architectures in uranyl systems may form from achiral building units as observed in (3) and (4). This is somewhat analogous to certain organic compounds, where achiral molecules are also able to form chiral layers. Within the concept of such an interpretation the structure of (3) can then be described as a racemate consisting of two A and A' chiral layers. In a similar approach the structure of (4) can be interpreted as being formed by four chiral layers. Layer pairs AA' and BB' can then be considered as racemic pairs and the whole structure is a co-racemate built by a combination of two racemates. Two-stage formation can be suggested for (4).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S205252061601917X/bp5092sup1.cif
Contains datablocks compound_1, compound_2, compound_3, compound_4

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205252061601917X/bp5092compound_1sup2.hkl
Contains datablock compound_1

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205252061601917X/bp5092compound_2sup3.hkl
Contains datablock compound_2

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205252061601917X/bp5092compound_3sup4.hkl
Contains datablock compound_3

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205252061601917X/bp5092compound_4sup5.hkl
Contains datablock compound_4

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S205252061601917X/bp5092sup6.pdf
Details of corrections to the article

CCDC references: 1520397; 1520398; 1520399; 1520400

Computing details top

Data collection: APEX2 (Bruker, 20012) for compound_1, compound_3, compound_4; APEX2 (Bruker, 2012) for compound_2. Cell refinement: APEX2 (Bruker, 20012) for compound_1, compound_3, compound_4; APEX2 (Bruker, 2012) for compound_2. For all compounds, data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: WinGX, version 2014.1; program(s) used to refine structure: SHELXL2014/7 (Sheldrick, 2014); molecular graphics: DIAMOND, Version 4.2.2. Software used to prepare material for publication: SHELXL2014/7 (Sheldrick, 2014) for compound_1, compound_3, compound_4.

(compound_1) top
Crystal data top
C4H20Cr3N2O18U2F(000) = 916
Mr = 1016.25Dx = 3.120 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
a = 8.8638 (10) ÅCell parameters from 1255 reflections
b = 11.1097 (13) Åθ = 1.9–27.5°
c = 11.5441 (13) ŵ = 16.46 mm1
β = 107.878 (2)°T = 150 K
V = 1081.9 (2) Å3Plate, red
Z = 20.28 × 0.25 × 0.20 mm
Data collection top
Bruker Kappa APEXII DUO
diffractometer
5129 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.045
π and ω scansθmax = 28.0°, θmin = 1.9°
Absorption correction: multi-scane
(SADABS; Bruker, 2012)
h = 1111
Tmin = 0.622, Tmax = 0.784k = 1414
51165 measured reflectionsl = 1215
5160 independent reflections
Refinement top
Refinement on F2H-atom parameters not refined
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0471P)2 + 3.120P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.026(Δ/σ)max = 0.002
wR(F2) = 0.070Δρmax = 4.21 e Å3
S = 1.11Δρmin = 1.81 e Å3
5160 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
264 parametersExtinction coefficient: 0.0015 (2)
1 restraintAbsolute structure: Refined as an inversion twin.
Hydrogen site location: inferred from neighbouring sitesAbsolute structure parameter: 0.093 (9)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a 2-component inversion twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
U10.43346 (4)0.50552 (3)0.08458 (3)0.00721 (10)
U20.51200 (4)0.91799 (2)0.39075 (3)0.00815 (10)
Cr10.27869 (17)0.83547 (14)0.06668 (13)0.0077 (3)
Cr20.29185 (17)0.61107 (13)0.34566 (14)0.0083 (3)
Cr30.58136 (17)0.18397 (13)0.22129 (14)0.0078 (3)
O10.7135 (9)1.0366 (6)0.5270 (6)0.0115 (13)
O20.3095 (9)0.8923 (6)0.2071 (6)0.0136 (14)
O30.6639 (9)0.8783 (7)0.3240 (7)0.0150 (14)
O40.3652 (9)0.9569 (7)0.4604 (7)0.0138 (14)
O50.6088 (8)0.5776 (7)0.1758 (7)0.0145 (14)
O60.2813 (8)0.6826 (6)0.0706 (6)0.0108 (13)
O70.5827 (11)0.3862 (7)0.0097 (8)0.0237 (18)
O80.4869 (8)1.1117 (6)0.3109 (6)0.0120 (13)
O90.3214 (8)0.5064 (7)0.2495 (6)0.0130 (12)
O100.4390 (9)0.7105 (6)0.3811 (7)0.0145 (14)
O110.2544 (9)0.4357 (7)0.0102 (7)0.0176 (15)
O120.1224 (9)0.6780 (7)0.2886 (7)0.0168 (14)
O130.5117 (10)0.3241 (7)0.2009 (7)0.0164 (14)
O140.1039 (10)0.8755 (7)0.0177 (8)0.0242 (19)
O150.4569 (10)0.6134 (7)0.0882 (7)0.0173 (15)
O160.7709 (9)0.1838 (7)0.2924 (8)0.0200 (16)
OW170.6428 (9)0.8090 (6)0.5892 (6)0.0128 (13)
HW1A0.66320.72330.57230.015*
HW1B0.57070.80970.64100.015*
OW180.0099 (10)0.4226 (9)0.2836 (9)0.0303 (19)
HW1C0.02770.33410.28850.036*
HW1D0.08680.43460.25770.036*
C10.0914 (15)0.1732 (13)0.1881 (11)0.027 (3)
H1A0.15700.11480.24880.032*
H1B0.00230.19840.21330.032*
H1C0.15680.24550.18410.032*
N10.0356 (10)0.1147 (8)0.0655 (10)0.0190 (19)
H1D0.05020.05550.06330.023*
H1E0.12530.07030.04960.023*
C20.1380 (14)0.1477 (10)0.0123 (12)0.021 (2)
H2A0.11770.23340.03920.025*
H2B0.11220.09400.08530.025*
H2C0.25220.13770.03600.025*
C30.1321 (13)0.6417 (10)0.4579 (11)0.020 (2)
H3A0.11960.68120.38350.024*
H3B0.09530.69790.52870.024*
H3C0.24630.62140.44380.024*
N20.0360 (10)0.5300 (8)0.4840 (9)0.0167 (17)
H2D0.07920.45600.51180.020*
H2E0.07200.52860.47380.020*
C40.0863 (15)0.4395 (10)0.3833 (12)0.027 (3)
H4A0.17910.39290.39120.032*
H4B0.00350.38310.38830.032*
H4C0.11670.48200.30300.032*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
U10.00714 (16)0.00610 (15)0.00807 (16)0.00072 (11)0.00188 (12)0.00048 (11)
U20.01005 (17)0.00627 (15)0.00838 (16)0.00012 (12)0.00318 (12)0.00008 (12)
Cr10.0073 (6)0.0058 (6)0.0087 (7)0.0001 (5)0.0003 (5)0.0002 (5)
Cr20.0083 (6)0.0066 (6)0.0101 (7)0.0011 (5)0.0028 (5)0.0006 (5)
Cr30.0076 (6)0.0054 (6)0.0103 (7)0.0000 (5)0.0028 (5)0.0007 (5)
O10.018 (3)0.009 (3)0.009 (3)0.001 (2)0.005 (3)0.000 (2)
O20.018 (3)0.012 (3)0.009 (3)0.004 (3)0.002 (3)0.004 (2)
O30.019 (3)0.013 (3)0.015 (4)0.002 (3)0.008 (3)0.002 (3)
O40.013 (3)0.013 (3)0.014 (3)0.001 (3)0.002 (3)0.000 (3)
O50.009 (3)0.014 (3)0.018 (4)0.001 (3)0.001 (3)0.003 (3)
O60.010 (3)0.006 (3)0.015 (3)0.000 (2)0.002 (3)0.002 (3)
O70.032 (4)0.015 (4)0.032 (5)0.011 (3)0.023 (4)0.006 (3)
O80.013 (3)0.012 (3)0.012 (3)0.003 (3)0.004 (3)0.003 (3)
O90.019 (3)0.009 (3)0.014 (3)0.004 (3)0.009 (3)0.002 (3)
O100.019 (4)0.009 (3)0.016 (3)0.002 (3)0.006 (3)0.001 (3)
O110.023 (4)0.014 (4)0.013 (3)0.002 (3)0.001 (3)0.006 (3)
O120.013 (3)0.016 (3)0.019 (4)0.006 (3)0.002 (3)0.004 (3)
O130.031 (4)0.007 (3)0.016 (3)0.002 (3)0.015 (3)0.002 (3)
O140.025 (4)0.012 (3)0.024 (4)0.007 (3)0.009 (3)0.001 (3)
O150.027 (4)0.014 (3)0.014 (4)0.001 (3)0.012 (3)0.003 (3)
O160.008 (3)0.017 (3)0.032 (4)0.001 (3)0.002 (3)0.002 (3)
OW170.019 (3)0.009 (3)0.012 (3)0.001 (3)0.006 (3)0.000 (2)
OW180.020 (4)0.026 (4)0.039 (5)0.005 (4)0.000 (3)0.011 (4)
C10.022 (5)0.037 (6)0.023 (6)0.010 (5)0.008 (5)0.003 (5)
N10.008 (4)0.013 (4)0.032 (5)0.002 (3)0.000 (4)0.003 (4)
C20.021 (5)0.015 (5)0.027 (6)0.001 (4)0.008 (5)0.002 (4)
C30.019 (5)0.016 (5)0.026 (6)0.002 (4)0.007 (5)0.000 (4)
N20.010 (4)0.017 (4)0.023 (4)0.004 (3)0.006 (3)0.000 (3)
C40.028 (6)0.014 (5)0.035 (6)0.005 (4)0.004 (5)0.006 (5)
Geometric parameters (Å, º) top
U1—O51.778 (7)O8—O15iii2.765 (10)
U1—O111.804 (7)O8—OW17i2.875 (10)
U1—O72.361 (8)O8—O10i3.584 (10)
U1—O62.362 (7)O8—O7iii4.175 (11)
U1—O152.390 (7)O9—O1iv2.713 (9)
U1—O92.403 (6)O9—O122.727 (10)
U1—O132.403 (7)O9—O102.750 (10)
U1—O104.099 (7)O9—O132.801 (10)
U2—O41.781 (7)O9—OW17iv2.831 (10)
U2—O31.799 (7)O9—O112.977 (10)
U2—O82.325 (7)O9—O4iv3.677 (10)
U2—O22.337 (7)O9—U2iv4.078 (7)
U2—O12.383 (7)O10—O122.703 (11)
U2—O102.388 (7)O10—O1iv2.751 (10)
U2—OW172.536 (7)O10—OW172.751 (10)
U2—O9i4.078 (7)O10—O4iv3.514 (10)
U2—O16ii4.108 (8)O11—O152.987 (11)
U2—O10i4.121 (7)O11—O133.044 (11)
U2—O15iii4.193 (8)O11—N1vii3.156 (12)
U2—O7iii4.233 (9)O11—OW183.237 (12)
Cr1—O141.619 (8)O11—O14ix3.356 (12)
Cr1—O7iii1.661 (8)O11—O3v3.958 (10)
Cr1—O21.682 (7)O11—O16iii4.220 (11)
Cr1—O61.699 (7)O12—O1iv2.686 (10)
Cr1—O153.676 (8)O12—OW18vii2.954 (12)
Cr1—O123.704 (8)O12—O144.121 (12)
Cr1—O103.736 (8)O12—O5x4.475 (10)
Cr2—O121.623 (7)O13—O162.709 (11)
Cr2—O101.662 (7)O13—O8vi2.720 (10)
Cr2—O91.682 (7)O13—O15v2.734 (11)
Cr2—O1iv1.700 (7)O13—OW17iv3.132 (10)
Cr2—O63.247 (7)O13—O4iv4.004 (10)
Cr2—OW17iv3.449 (7)O13—O6v4.381 (10)
Cr2—O23.536 (7)O14—O7iii2.701 (13)
Cr2—O4iv3.607 (7)O14—N1ii2.951 (12)
Cr3—O161.628 (7)O14—C2ii3.039 (13)
Cr3—O15v1.665 (8)O14—N1vii3.131 (12)
Cr3—O131.665 (8)O14—C1vii3.134 (15)
Cr3—O8vi1.717 (7)O14—O11vii3.356 (12)
Cr3—O73.490 (8)O14—OW18vii3.943 (13)
Cr3—O3vi3.597 (8)O14—O9vii4.158 (11)
Cr3—OW17iv3.651 (7)O15—Cr3iii1.665 (8)
Cr3—O1vi3.737 (7)O15—O16iii2.706 (11)
O1—Cr2i1.700 (7)O15—O13iii2.734 (11)
O1—O12i2.686 (10)O15—O8v2.765 (10)
O1—O9i2.713 (9)O15—O7iii3.291 (11)
O1—O10i2.751 (10)O15—O3v3.687 (11)
O1—OW172.754 (10)O16—O15v2.706 (11)
O1—O82.807 (10)O16—O8vi2.712 (10)
O1—O32.854 (10)O16—C4xi3.156 (14)
O1—N2i2.900 (11)O16—O1vi3.333 (11)
O1—O43.075 (10)O16—OW18v3.511 (12)
O1—O16ii3.333 (11)O16—O3vi3.573 (11)
O1—Cr3ii3.737 (7)O16—O6v4.072 (11)
O2—O142.680 (11)O16—U2vi4.108 (8)
O2—O7iii2.729 (11)O16—O11v4.220 (11)
O2—O62.781 (10)OW17—O9i2.831 (10)
O2—O102.832 (10)OW17—O8iv2.875 (10)
O2—O42.903 (10)OW17—O13i3.132 (10)
O2—O82.948 (10)OW17—Cr2i3.449 (7)
O2—O33.019 (10)OW17—Cr3i3.651 (7)
O2—O123.204 (10)OW17—O4iv3.951 (10)
O2—OW18vii3.232 (11)OW17—O1iv4.281 (10)
O3—O102.948 (11)OW17—HW1A1.0014
O3—O83.011 (10)OW17—HW1B1.0009
O3—OW18iii3.106 (12)OW18—N2xii2.849 (13)
O3—OW173.217 (10)OW18—O12ix2.954 (12)
O3—O16ii3.573 (11)OW18—O3v3.106 (12)
O3—O43.579 (10)OW18—C1vii3.223 (18)
O3—Cr3ii3.597 (8)OW18—O2ix3.232 (11)
O3—O7iii3.617 (13)OW18—O4ix3.346 (11)
O3—O15iii3.687 (11)OW18—O16iii3.511 (12)
O4—O82.872 (10)OW18—O14ix3.943 (13)
O4—OW172.953 (10)OW18—O1v4.442 (11)
O4—O103.022 (10)OW18—O10ix4.462 (11)
O4—C3viii3.251 (13)OW18—HW1C1.0005
O4—OW18vii3.346 (11)OW18—HW1D1.0024
O4—O10i3.514 (10)C1—N11.497 (16)
O4—Cr2i3.607 (7)C1—O14ix3.135 (15)
O4—O9i3.677 (10)C1—OW18ix3.222 (18)
O5—O152.956 (11)C1—H1A0.9998
O5—O72.975 (11)C1—H1B0.9981
O5—O132.984 (10)C1—H1C1.0027
O5—O63.016 (10)N1—C21.506 (15)
O5—O93.028 (10)N1—O6ix2.867 (11)
O5—O103.501 (11)N1—O14vi2.951 (12)
O5—O113.581 (10)N1—O14ix3.131 (12)
O5—O7iii4.040 (11)N1—O11ix3.156 (12)
O5—O14v4.209 (12)N1—H1D1.0001
O5—O4iv4.346 (11)N1—H1E1.0025
O6—O142.668 (10)C2—O14vi3.039 (13)
O6—O7iii2.754 (10)C2—H2A1.0002
O6—O92.788 (10)C2—H2B1.0042
O6—O152.850 (10)C2—H2C0.9989
O6—N1vii2.867 (11)C3—N21.483 (14)
O6—O112.884 (10)C3—O4xiii3.251 (13)
O6—O123.240 (11)C3—H3A1.0008
O7—Cr1v1.660 (8)C3—H3B1.0004
O7—O14v2.701 (13)C3—H3C0.9986
O7—O2v2.729 (11)N2—C41.498 (15)
O7—O6v2.754 (10)N2—OW18xiv2.849 (13)
O7—O132.779 (10)N2—O1iv2.900 (11)
O7—O152.796 (11)N2—H2D1.0016
O7—O112.960 (11)N2—H2E0.9990
O7—O15v3.291 (11)C4—O16x3.156 (14)
O7—O3v3.618 (13)C4—H4A1.0004
O8—Cr3ii1.717 (7)C4—H4B1.0000
O8—O16ii2.712 (10)C4—H4C0.9985
O8—O13ii2.720 (10)
O5—U1—O11178.6 (4)O6—O9—O4iv131.9 (3)
O5—U1—O790.8 (3)O13—O9—O4iv75.0 (3)
O11—U1—O789.6 (3)OW17iv—O9—O4iv52.0 (2)
O5—U1—O692.4 (3)O11—O9—O4iv137.6 (3)
O11—U1—O686.5 (3)O5—O9—O4iv80.2 (2)
O7—U1—O6145.6 (3)Cr2—O9—U2iv64.9 (2)
O5—U1—O1589.1 (3)U1—O9—U2iv134.2 (2)
O11—U1—O1589.7 (3)O1iv—O9—U2iv34.14 (17)
O7—U1—O1572.1 (3)O12—O9—U2iv92.9 (2)
O6—U1—O1573.7 (3)O10—O9—U2iv71.2 (2)
O5—U1—O991.6 (3)O6—O9—U2iv148.0 (3)
O11—U1—O988.9 (3)O13—O9—U2iv88.7 (2)
O7—U1—O9142.6 (3)OW17iv—O9—U2iv37.92 (17)
O6—U1—O971.6 (3)O11—O9—U2iv149.3 (3)
O15—U1—O9145.3 (3)O5—O9—U2iv106.0 (2)
O5—U1—O1389.8 (3)O4iv—O9—U2iv25.89 (12)
O11—U1—O1391.6 (3)Cr2—O10—U2146.5 (4)
O7—U1—O1371.4 (3)Cr2—O10—O1234.2 (2)
O6—U1—O13142.9 (2)U2—O10—O12112.4 (3)
O15—U1—O13143.4 (2)Cr2—O10—O934.9 (2)
O9—U1—O1371.3 (2)U2—O10—O9150.8 (4)
O5—U1—O1058.1 (3)O12—O10—O960.0 (3)
O11—U1—O10121.9 (3)Cr2—O10—O1iv35.6 (2)
O7—U1—O10146.3 (3)U2—O10—O1iv144.9 (4)
O6—U1—O1057.0 (2)O12—O10—O1iv59.0 (3)
O15—U1—O10115.9 (2)O9—O10—O1iv59.1 (2)
O9—U1—O1040.3 (2)Cr2—O10—OW17137.3 (4)
O13—U1—O1094.1 (2)U2—O10—OW1758.6 (2)
O4—U2—O3178.6 (4)O12—O10—OW17136.2 (4)
O4—U2—O887.7 (3)O9—O10—OW17147.8 (4)
O3—U2—O892.9 (3)O1iv—O10—OW17102.2 (3)
O4—U2—O288.6 (3)Cr2—O10—O2100.5 (4)
O3—U2—O292.8 (3)U2—O10—O252.4 (2)
O8—U2—O278.4 (2)O12—O10—O270.7 (3)
O4—U2—O194.1 (3)O9—O10—O2101.2 (3)
O3—U2—O184.8 (3)O1iv—O10—O2129.4 (4)
O8—U2—O173.2 (2)OW17—O10—O2110.5 (3)
O2—U2—O1151.4 (2)Cr2—O10—O3154.0 (4)
O4—U2—O1091.7 (3)U2—O10—O337.59 (18)
O3—U2—O1088.3 (3)O12—O10—O3133.4 (4)
O8—U2—O10152.1 (3)O9—O10—O3124.4 (3)
O2—U2—O1073.6 (2)O1iv—O10—O3167.6 (4)
O1—U2—O10134.6 (2)OW17—O10—O368.6 (3)
O4—U2—OW1784.4 (3)O2—O10—O362.9 (3)
O3—U2—OW1794.3 (3)Cr2—O10—O4116.8 (4)
O8—U2—OW17139.6 (2)U2—O10—O436.09 (17)
O2—U2—OW17140.6 (2)O12—O10—O486.9 (3)
O1—U2—OW1768.0 (2)O9—O10—O4146.5 (4)
O10—U2—OW1767.9 (2)O1iv—O10—O4110.0 (3)
O4—U2—O9i64.4 (3)OW17—O10—O461.3 (2)
O3—U2—O9i114.2 (3)O2—O10—O459.4 (2)
O8—U2—O9i98.1 (2)O3—O10—O473.7 (3)
O2—U2—O9i152.9 (2)Cr2—O10—O669.3 (3)
O1—U2—O9i39.71 (19)U2—O10—O698.8 (3)
O10—U2—O9i106.8 (2)O12—O10—O662.3 (3)
OW17—U2—O9i43.33 (19)O9—O10—O652.1 (2)
O4—U2—O16ii119.9 (3)O1iv—O10—O6104.4 (3)
O3—U2—O16ii60.2 (3)OW17—O10—O6153.4 (3)
O8—U2—O16ii38.6 (2)O2—O10—O651.5 (2)
O2—U2—O16ii100.1 (2)O3—O10—O684.8 (3)
O1—U2—O16ii54.2 (2)O4—O10—O6109.9 (3)
O10—U2—O16ii147.9 (2)Cr2—O10—O591.2 (3)
OW17—U2—O16ii117.0 (2)U2—O10—O5105.8 (3)
O9i—U2—O16ii92.86 (15)O12—O10—O5106.6 (3)
O4—U2—O10i57.9 (3)O9—O10—O556.4 (2)
O3—U2—O10i121.4 (3)O1iv—O10—O5109.2 (3)
O8—U2—O10i60.1 (2)OW17—O10—O5117.1 (3)
O2—U2—O10i125.2 (2)O2—O10—O589.2 (3)
O1—U2—O10i39.8 (2)O3—O10—O569.8 (2)
O10—U2—O10i139.90 (11)O4—O10—O5140.0 (3)
OW17—U2—O10i82.52 (19)O6—O10—O551.5 (2)
O9i—U2—O10i39.19 (15)Cr2—O10—O4iv79.7 (3)
O16ii—U2—O10i69.61 (16)U2—O10—O4iv131.8 (3)
O4—U2—O15iii119.7 (3)O12—O10—O4iv112.7 (3)
O3—U2—O15iii61.4 (3)O9—O10—O4iv70.7 (2)
O8—U2—O15iii38.1 (2)O1iv—O10—O4iv57.2 (2)
O2—U2—O15iii62.4 (2)OW17—O10—O4iv77.1 (3)
O1—U2—O15iii92.0 (2)O2—O10—O4iv165.7 (3)
O10—U2—O15iii123.2 (2)O3—O10—O4iv111.3 (3)
OW17—U2—O15iii150.6 (2)O4—O10—O4iv133.4 (3)
O9i—U2—O15iii128.88 (15)O6—O10—O4iv116.6 (3)
O16ii—U2—O15iii38.03 (16)O5—O10—O4iv76.6 (2)
O10i—U2—O15iii95.92 (15)U1—O11—O654.9 (2)
O4—U2—O7iii123.4 (3)U1—O11—O752.9 (3)
O3—U2—O7iii58.0 (3)O6—O11—O7101.1 (3)
O8—U2—O7iii72.6 (2)U1—O11—O953.8 (2)
O2—U2—O7iii36.4 (2)O6—O11—O956.8 (2)
O1—U2—O7iii127.0 (2)O7—O11—O998.9 (3)
O10—U2—O7iii84.6 (2)U1—O11—O1553.1 (3)
OW17—U2—O7iii142.1 (2)O6—O11—O1558.1 (2)
O9i—U2—O7iii166.63 (15)O7—O11—O1556.1 (3)
O16ii—U2—O7iii73.85 (16)O9—O11—O15100.2 (3)
O10i—U2—O7iii132.71 (15)U1—O11—O1352.1 (2)
O15iii—U2—O7iii38.75 (14)O6—O11—O1399.3 (3)
O14—Cr1—O7iii110.9 (5)O7—O11—O1355.1 (3)
O14—Cr1—O2108.6 (4)O9—O11—O1355.4 (2)
O7iii—Cr1—O2109.5 (4)O15—O11—O1398.0 (3)
O14—Cr1—O6107.1 (4)U1—O11—N1vii111.2 (3)
O7iii—Cr1—O6110.1 (4)O6—O11—N1vii56.5 (2)
O2—Cr1—O6110.7 (3)O7—O11—N1vii148.9 (4)
O14—Cr1—O15111.5 (3)O9—O11—N1vii86.3 (3)
O7iii—Cr1—O1563.5 (3)O15—O11—N1vii92.9 (3)
O2—Cr1—O15138.9 (3)O13—O11—N1vii141.4 (3)
O6—Cr1—O1548.5 (3)U1—O11—OW18144.3 (4)
O14—Cr1—O1293.1 (4)O6—O11—OW18108.8 (3)
O7iii—Cr1—O12156.0 (4)O7—O11—OW18110.9 (3)
O2—Cr1—O1259.7 (3)O9—O11—OW18149.4 (4)
O6—Cr1—O1261.0 (3)O15—O11—OW1891.2 (3)
O15—Cr1—O12109.09 (17)O13—O11—OW18151.1 (3)
O14—Cr1—O10134.0 (4)N1vii—O11—OW1864.6 (3)
O7iii—Cr1—O10113.8 (4)U1—O11—O14ix135.2 (4)
O2—Cr1—O1045.8 (3)O6—O11—O14ix98.4 (3)
O6—Cr1—O1066.7 (3)O7—O11—O14ix157.2 (3)
O15—Cr1—O1097.53 (17)O9—O11—O14ix81.8 (3)
O12—Cr1—O1042.61 (16)O15—O11—O14ix146.6 (3)
O12—Cr2—O10110.8 (4)O13—O11—O14ix109.9 (3)
O12—Cr2—O9111.1 (4)N1vii—O11—O14ix53.8 (3)
O10—Cr2—O9110.6 (4)OW18—O11—O14ix73.4 (3)
O12—Cr2—O1iv107.8 (4)U1—O11—O50.69 (18)
O10—Cr2—O1iv109.8 (4)O6—O11—O554.3 (2)
O9—Cr2—O1iv106.6 (3)O7—O11—O553.1 (2)
O12—Cr2—O675.3 (3)O9—O11—O554.1 (2)
O10—Cr2—O682.1 (3)O15—O11—O552.6 (2)
O9—Cr2—O659.2 (3)O13—O11—O552.8 (2)
O1iv—Cr2—O6164.7 (3)N1vii—O11—O5110.7 (3)
O12—Cr2—OW17iv127.3 (3)OW18—O11—O5143.7 (3)
O10—Cr2—OW17iv121.8 (3)O14ix—O11—O5135.4 (3)
O9—Cr2—OW17iv54.7 (3)U1—O11—O3v104.5 (3)
O1iv—Cr2—OW17iv52.1 (3)O6—O11—O3v115.4 (3)
O6—Cr2—OW17iv113.81 (17)O7—O11—O3v61.0 (3)
O12—Cr2—O264.9 (3)O9—O11—O3v158.1 (3)
O10—Cr2—O252.0 (3)O15—O11—O3v62.3 (2)
O9—Cr2—O2105.9 (3)O13—O11—O3v111.4 (3)
O1iv—Cr2—O2146.9 (3)N1vii—O11—O3v106.4 (3)
O6—Cr2—O248.17 (17)OW18—O11—O3v49.9 (2)
OW17iv—Cr2—O2158.54 (17)O14ix—O11—O3v120.0 (3)
O12—Cr2—O4iv165.5 (3)O5—O11—O3v104.3 (2)
O10—Cr2—O4iv73.4 (3)U1—O11—O16iii90.9 (3)
O9—Cr2—O4iv79.0 (3)O6—O11—O16iii66.9 (2)
O1iv—Cr2—O4iv58.3 (3)O7—O11—O16iii86.7 (3)
O6—Cr2—O4iv119.27 (17)O9—O11—O16iii123.5 (3)
OW17iv—Cr2—O4iv49.42 (17)O15—O11—O16iii39.7 (2)
O2—Cr2—O4iv123.68 (17)O13—O11—O16iii137.2 (3)
O16—Cr3—O15v110.5 (4)N1vii—O11—O16iii65.5 (3)
O16—Cr3—O13110.7 (4)OW18—O11—O16iii54.2 (2)
O15v—Cr3—O13110.4 (4)O14ix—O11—O16iii112.1 (3)
O16—Cr3—O8vi108.3 (4)O5—O11—O16iii90.2 (2)
O15v—Cr3—O8vi109.7 (4)O3v—O11—O16iii51.68 (18)
O13—Cr3—O8vi107.1 (3)Cr2—O12—O1iv37.1 (2)
O16—Cr3—O798.1 (3)Cr2—O12—O1035.1 (2)
O15v—Cr3—O769.2 (3)O1iv—O12—O1061.4 (3)
O13—Cr3—O751.5 (3)Cr2—O12—O935.1 (2)
O8vi—Cr3—O7151.4 (3)O1iv—O12—O960.1 (3)
O16—Cr3—O3vi76.0 (3)O10—O12—O960.8 (3)
O15v—Cr3—O3vi79.8 (3)Cr2—O12—OW18vii137.9 (4)
O13—Cr3—O3vi163.4 (3)O1iv—O12—OW18vii131.9 (4)
O8vi—Cr3—O3vi56.5 (3)O10—O12—OW18vii104.0 (3)
O7—Cr3—O3vi144.27 (18)O9—O12—OW18vii155.9 (4)
O16—Cr3—OW17iv111.5 (3)Cr2—O12—O287.8 (3)
O15v—Cr3—OW17iv137.6 (3)O1iv—O12—O2117.7 (3)
O13—Cr3—OW17iv58.8 (3)O10—O12—O256.5 (2)
O8vi—Cr3—OW17iv50.3 (3)O9—O12—O292.9 (3)
O7—Cr3—OW17iv110.05 (17)OW18vii—O12—O263.2 (3)
O3vi—Cr3—OW17iv104.75 (16)Cr2—O12—O675.7 (3)
O16—Cr3—O1vi63.1 (3)O1iv—O12—O6111.5 (3)
O15v—Cr3—O1vi125.5 (3)O10—O12—O670.0 (3)
O13—Cr3—O1vi122.6 (3)O9—O12—O654.9 (2)
O8vi—Cr3—O1vi45.2 (3)OW18vii—O12—O6103.6 (3)
O7—Cr3—O1vi158.4 (2)O2—O12—O651.1 (2)
O3vi—Cr3—O1vi45.74 (16)Cr2—O12—Cr190.1 (3)
OW17iv—Cr3—O1vi70.82 (16)O1iv—O12—Cr1126.7 (3)
Cr2i—O1—U2128.7 (4)O10—O12—Cr169.3 (2)
Cr2i—O1—O12i35.1 (2)O9—O12—Cr179.5 (2)
U2—O1—O12i163.8 (4)OW18vii—O12—Cr177.4 (3)
Cr2i—O1—O9i36.5 (2)O2—O12—Cr126.95 (14)
U2—O1—O9i106.1 (3)O6—O12—Cr127.28 (14)
O12i—O1—O9i60.7 (3)Cr2—O12—O482.0 (3)
Cr2i—O1—O10i34.6 (2)O1iv—O12—O488.9 (3)
U2—O1—O10i106.6 (3)O10—O12—O449.9 (2)
O12i—O1—O10i59.6 (3)O9—O12—O4110.6 (3)
O9i—O1—O10i60.4 (3)OW18vii—O12—O455.9 (2)
Cr2i—O1—OW1798.7 (3)O2—O12—O446.52 (19)
U2—O1—OW1758.6 (2)O6—O12—O494.5 (2)
O12i—O1—OW17116.2 (3)Cr1—O12—O473.41 (18)
O9i—O1—OW1762.4 (3)Cr2—O12—O14112.3 (4)
O10i—O1—OW17111.5 (3)O1iv—O12—O14149.4 (3)
Cr2i—O1—O8114.9 (4)O10—O12—O1491.8 (3)
U2—O1—O852.5 (2)O9—O12—O1495.0 (3)
O12i—O1—O8126.6 (3)OW18vii—O12—O1465.3 (3)
O9i—O1—O8128.5 (3)O2—O12—O1440.55 (19)
O10i—O1—O880.3 (3)O6—O12—O1440.32 (19)
OW17—O1—O8110.3 (3)Cr1—O12—O1423.09 (13)
Cr2i—O1—O3166.3 (4)O4—O12—O1483.4 (2)
U2—O1—O338.89 (19)Cr2—O12—U266.5 (3)
O12i—O1—O3157.0 (4)O1iv—O12—U287.2 (2)
O9i—O1—O3132.1 (3)O10—O12—U231.43 (17)
O10i—O1—O3141.2 (4)O9—O12—U288.4 (2)
OW17—O1—O370.0 (3)OW18vii—O12—U273.2 (2)
O8—O1—O364.3 (3)O2—O12—U233.09 (15)
Cr2i—O1—N2i109.9 (4)O6—O12—U272.20 (19)
U2—O1—N2i120.4 (3)Cr1—O12—U256.56 (11)
O12i—O1—N2i75.4 (3)O4—O12—U224.83 (12)
O9i—O1—N2i116.1 (3)O14—O12—U273.61 (17)
O10i—O1—N2i130.0 (3)Cr2—O12—O5x137.4 (4)
OW17—O1—N2i107.1 (3)O1iv—O12—O5x109.9 (3)
O8—O1—N2i114.5 (3)O10—O12—O5x171.2 (3)
O3—O1—N2i81.6 (3)O9—O12—O5x115.4 (3)
Cr2i—O1—O493.6 (3)OW18vii—O12—O5x82.0 (2)
U2—O1—O435.29 (17)O2—O12—O5x132.2 (3)
O12i—O1—O4128.6 (3)O6—O12—O5x115.1 (3)
O9i—O1—O478.6 (3)Cr1—O12—O5x118.7 (2)
O10i—O1—O474.0 (3)O4—O12—O5x133.8 (2)
OW17—O1—O460.6 (2)O14—O12—O5x96.6 (2)
O8—O1—O458.2 (2)U2—O12—O5x155.2 (2)
O3—O1—O474.2 (3)Cr3—O13—U1153.4 (4)
N2i—O1—O4155.4 (3)Cr3—O13—O1634.2 (2)
Cr2i—O1—O16ii121.1 (3)U1—O13—O16139.9 (4)
U2—O1—O16ii90.3 (2)Cr3—O13—O8vi37.1 (2)
O12i—O1—O16ii100.2 (3)U1—O13—O8vi159.7 (4)
O9i—O1—O16ii157.5 (3)O16—O13—O8vi59.9 (3)
O10i—O1—O16ii100.6 (3)Cr3—O13—O15v34.8 (2)
OW17—O1—O16ii140.0 (3)U1—O13—O15v120.4 (3)
O8—O1—O16ii51.6 (2)O16—O13—O15v59.6 (3)
O3—O1—O16ii70.1 (3)O8vi—O13—O15v60.9 (3)
N2i—O1—O16ii65.1 (3)Cr3—O13—O7100.5 (3)
O4—O1—O16ii109.3 (3)U1—O13—O753.6 (2)
Cr2i—O1—Cr3ii121.3 (3)O16—O13—O795.2 (3)
U2—O1—Cr3ii70.42 (17)O8vi—O13—O7134.1 (4)
O12i—O1—Cr3ii115.4 (3)O15v—O13—O773.3 (3)
O9i—O1—Cr3ii149.1 (3)Cr3—O13—O9150.3 (4)
O10i—O1—Cr3ii90.5 (2)U1—O13—O954.3 (2)
OW17—O1—Cr3ii128.2 (3)O16—O13—O9146.0 (4)
O8—O1—Cr3ii25.74 (15)O8vi—O13—O9113.2 (3)
O3—O1—Cr3ii64.5 (2)O15v—O13—O9150.5 (4)
N2i—O1—Cr3ii89.9 (3)O7—O13—O9107.9 (3)
O4—O1—Cr3ii83.7 (2)Cr3—O13—O5142.2 (4)
O16ii—O1—Cr3ii25.81 (14)U1—O13—O536.56 (17)
Cr1—O2—U2140.6 (4)O16—O13—O5110.2 (3)
Cr1—O2—O1434.9 (2)O8vi—O13—O5158.6 (4)
U2—O2—O14172.4 (4)O15v—O13—O5133.4 (3)
Cr1—O2—O7iii35.0 (2)O7—O13—O562.0 (3)
U2—O2—O7iii113.1 (3)O9—O13—O563.0 (3)
O14—O2—O7iii59.9 (3)Cr3—O13—O11130.4 (4)
Cr1—O2—O634.9 (2)U1—O13—O1136.32 (18)
U2—O2—O6121.8 (3)O16—O13—O11152.1 (4)
O14—O2—O658.5 (3)O8vi—O13—O11125.4 (4)
O7iii—O2—O660.0 (3)O15v—O13—O1197.4 (3)
Cr1—O2—O10109.0 (3)O7—O13—O1160.9 (3)
U2—O2—O1054.0 (2)O9—O13—O1161.1 (3)
O14—O2—O10130.1 (3)O5—O13—O1172.9 (3)
O7iii—O2—O10113.9 (3)Cr3—O13—OW17iv94.1 (3)
O6—O2—O1075.6 (3)U1—O13—OW17iv111.0 (3)
Cr1—O2—O4172.2 (4)O16—O13—OW17iv100.8 (3)
U2—O2—O437.82 (18)O8vi—O13—OW17iv58.3 (2)
O14—O2—O4147.9 (4)O15v—O13—OW17iv117.1 (3)
O7iii—O2—O4148.5 (4)O7—O13—OW17iv163.8 (4)
O6—O2—O4137.4 (3)O9—O13—OW17iv56.7 (2)
O10—O2—O463.6 (3)O5—O13—OW17iv109.5 (3)
Cr1—O2—O8127.6 (4)O11—O13—OW17iv104.1 (3)
U2—O2—O850.59 (19)Cr3—O13—O4iv103.2 (3)
O14—O2—O8124.8 (3)U1—O13—O4iv100.5 (2)
O7iii—O2—O894.6 (3)O16—O13—O4iv83.5 (3)
O6—O2—O8150.1 (3)O8vi—O13—O4iv84.3 (3)
O10—O2—O8104.6 (3)O15v—O13—O4iv138.0 (3)
O4—O2—O858.8 (2)O7—O13—O4iv134.1 (3)
Cr1—O2—O3104.5 (3)O9—O13—O4iv62.5 (2)
U2—O2—O336.53 (17)O5—O13—O4iv75.3 (2)
O14—O2—O3137.3 (4)O11—O13—O4iv123.0 (3)
O7iii—O2—O377.8 (3)OW17iv—O13—O4iv46.95 (19)
O6—O2—O396.3 (3)Cr3—O13—O6v63.1 (2)
O10—O2—O360.4 (3)U1—O13—O6v90.8 (2)
O4—O2—O374.4 (3)O16—O13—O6v65.2 (2)
O8—O2—O360.6 (2)O8vi—O13—O6v97.7 (3)
Cr1—O2—O1293.3 (3)O15v—O13—O6v39.3 (2)
U2—O2—O1298.4 (3)O7—O13—O6v37.5 (2)
O14—O2—O1288.4 (3)O9—O13—O6v144.4 (3)
O7iii—O2—O12124.9 (3)O5—O13—O6v94.1 (2)
O6—O2—O1265.1 (3)O11—O13—O6v87.1 (2)
O10—O2—O1252.8 (2)OW17iv—O13—O6v155.9 (3)
O4—O2—O1280.3 (3)O4iv—O13—O6v141.5 (3)
O8—O2—O12139.0 (3)Cr1—O14—O637.5 (2)
O3—O2—O12113.1 (3)Cr1—O14—O236.5 (3)
Cr1—O2—OW18vii114.0 (4)O6—O14—O262.6 (3)
U2—O2—OW18vii103.4 (3)Cr1—O14—O7iii35.1 (3)
O14—O2—OW18vii83.1 (3)O6—O14—O7iii61.7 (3)
O7iii—O2—OW18vii142.3 (4)O2—O14—O7iii60.9 (3)
O6—O2—OW18vii108.0 (3)Cr1—O14—N1ii107.8 (4)
O10—O2—OW18vii94.5 (3)O6—O14—N1ii139.0 (4)
O4—O2—OW18vii65.9 (3)O2—O14—N1ii76.6 (3)
O8—O2—OW18vii101.9 (3)O7iii—O14—N1ii103.2 (4)
O3—O2—OW18vii139.6 (3)Cr1—O14—C2ii101.0 (5)
O12—O2—OW18vii54.6 (3)O6—O14—C2ii138.4 (4)
Cr1—O2—Cr295.0 (3)O2—O14—C2ii82.9 (4)
U2—O2—Cr279.95 (19)O7iii—O14—C2ii82.0 (4)
O14—O2—Cr2105.4 (3)N1ii—O14—C2ii29.1 (3)
O7iii—O2—Cr2115.6 (3)Cr1—O14—N1vii96.0 (4)
O6—O2—Cr260.5 (2)O6—O14—N1vii58.6 (3)
O10—O2—Cr227.52 (17)O2—O14—N1vii110.5 (4)
O4—O2—Cr277.3 (2)O7iii—O14—N1vii113.4 (3)
O8—O2—Cr2129.7 (3)N1ii—O14—N1vii141.4 (3)
O3—O2—Cr286.4 (2)C2ii—O14—N1vii162.9 (4)
O12—O2—Cr227.31 (14)Cr1—O14—C1vii115.0 (4)
OW18vii—O2—Cr278.7 (2)O6—O14—C1vii79.1 (4)
U2—O3—O156.3 (2)O2—O14—C1vii137.5 (4)
U2—O3—O1054.1 (2)O7iii—O14—C1vii117.1 (4)
O1—O3—O1098.7 (3)N1ii—O14—C1vii136.1 (4)
U2—O3—O850.5 (2)C2ii—O14—C1vii139.4 (5)
O1—O3—O857.1 (2)N1vii—O14—C1vii27.6 (3)
O10—O3—O8100.3 (3)Cr1—O14—O11vii139.1 (5)
U2—O3—O250.7 (2)O6—O14—O11vii126.0 (4)
O1—O3—O2102.3 (3)O2—O14—O11vii106.0 (4)
O10—O3—O256.7 (2)O7iii—O14—O11vii161.7 (4)
O8—O3—O258.6 (2)N1ii—O14—O11vii59.6 (3)
U2—O3—OW18iii151.5 (4)C2ii—O14—O11vii83.7 (3)
O1—O3—OW18iii96.3 (3)N1vii—O14—O11vii82.4 (3)
O10—O3—OW18iii149.1 (4)C1vii—O14—O11vii81.2 (3)
O8—O3—OW18iii110.5 (3)Cr1—O14—OW18vii87.9 (4)
O2—O3—OW18iii144.4 (4)O6—O14—OW18vii92.9 (3)
U2—O3—OW1751.8 (2)O2—O14—OW18vii54.5 (3)
O1—O3—OW1753.5 (2)O7iii—O14—OW18vii115.1 (3)
O10—O3—OW1752.8 (2)N1ii—O14—OW18vii57.3 (3)
O8—O3—OW1794.2 (3)C2ii—O14—OW18vii84.3 (4)
O2—O3—OW1794.7 (3)N1vii—O14—OW18vii94.8 (4)
OW18iii—O3—OW17120.6 (3)C1vii—O14—OW18vii114.0 (4)
U2—O3—O16ii93.9 (3)O11vii—O14—OW18vii51.9 (2)
O1—O3—O16ii61.3 (2)Cr1—O14—O1263.8 (3)
O10—O3—O16ii147.4 (3)O6—O14—O1251.8 (2)
O8—O3—O16ii47.7 (2)O2—O14—O1251.0 (2)
O2—O3—O16ii100.2 (3)O7iii—O14—O1298.9 (3)
OW18iii—O3—O16ii63.0 (3)N1ii—O14—O1299.1 (3)
OW17—O3—O16ii114.8 (3)C2ii—O14—O12122.3 (4)
U2—O3—O40.71 (18)N1vii—O14—O1264.4 (3)
O1—O3—O455.7 (2)C1vii—O14—O1291.5 (3)
O10—O3—O454.1 (2)O11vii—O14—O1279.2 (3)
O8—O3—O450.8 (2)OW18vii—O14—O1242.9 (2)
O2—O3—O451.3 (2)Cr1—O14—O9vii173.9 (5)
OW18iii—O3—O4151.1 (3)O6—O14—O9vii147.0 (3)
OW17—O3—O451.2 (2)O2—O14—O9vii144.2 (3)
O16ii—O3—O493.9 (2)O7iii—O14—O9vii139.2 (4)
U2—O3—Cr3ii78.8 (2)N1ii—O14—O9vii70.0 (3)
O1—O3—Cr3ii69.7 (2)C2ii—O14—O9vii74.3 (3)
O10—O3—Cr3ii126.0 (3)N1vii—O14—O9vii88.8 (3)
O8—O3—Cr3ii28.38 (15)C1vii—O14—O9vii68.3 (3)
O2—O3—Cr3ii74.1 (2)O11vii—O14—O9vii45.14 (18)
OW18iii—O3—Cr3ii84.6 (3)OW18vii—O14—O9vii95.4 (2)
OW17—O3—Cr3ii118.3 (2)O12—O14—O9vii121.9 (3)
O16ii—O3—Cr3ii26.24 (13)Cr3iii—O15—U1164.0 (5)
O4—O3—Cr3ii79.15 (18)Cr3iii—O15—O16iii34.3 (2)
U2—O3—O7iii97.0 (3)U1—O15—O16iii129.7 (4)
O1—O3—O7iii134.6 (3)Cr3iii—O15—O13iii34.8 (2)
O10—O3—O7iii89.9 (3)U1—O15—O13iii151.0 (4)
O8—O3—O7iii77.5 (2)O16iii—O15—O13iii59.7 (3)
O2—O3—O7iii47.5 (2)Cr3iii—O15—O8v35.8 (2)
OW18iii—O3—O7iii98.6 (3)U1—O15—O8v149.2 (4)
OW17—O3—O7iii140.1 (3)O16iii—O15—O8v59.4 (3)
O16ii—O3—O7iii88.4 (2)O13iii—O15—O8v59.3 (3)
O4—O3—O7iii97.7 (3)Cr3iii—O15—O7132.3 (4)
Cr3ii—O3—O7iii69.34 (19)U1—O15—O753.5 (2)
U2—O3—O15iii93.2 (3)O16iii—O15—O7131.3 (4)
O1—O3—O15iii96.1 (3)O13iii—O15—O7147.0 (4)
O10—O3—O15iii123.4 (3)O8v—O15—O797.3 (3)
O8—O3—O15iii47.5 (2)Cr3iii—O15—O6118.0 (4)
O2—O3—O15iii66.8 (2)U1—O15—O652.7 (2)
OW18iii—O3—O15iii81.3 (3)O16iii—O15—O694.2 (3)
OW17—O3—O15iii141.6 (3)O13iii—O15—O6103.3 (3)
O16ii—O3—O15iii43.7 (2)O8v—O15—O6152.8 (4)
O4—O3—O15iii93.8 (2)O7—O15—O6106.1 (3)
Cr3ii—O3—O15iii26.38 (13)Cr3iii—O15—O5156.1 (4)
O7iii—O3—O15iii44.99 (19)U1—O15—O536.96 (18)
U2—O4—O854.0 (2)O16iii—O15—O5156.8 (4)
U2—O4—O253.6 (2)O13iii—O15—O5121.7 (4)
O8—O4—O261.4 (2)O8v—O15—O5143.4 (4)
U2—O4—OW1758.7 (2)O7—O15—O562.2 (3)
O8—O4—OW17103.1 (3)O6—O15—O562.6 (2)
O2—O4—OW17103.2 (3)Cr3iii—O15—O11128.2 (4)
U2—O4—O1052.2 (2)U1—O15—O1137.14 (18)
O8—O4—O10101.8 (3)O16iii—O15—O1195.6 (3)
O2—O4—O1057.1 (2)O13iii—O15—O11150.2 (4)
OW17—O4—O1054.8 (2)O8v—O15—O11124.9 (3)
U2—O4—O150.6 (2)O7—O15—O1161.5 (3)
O8—O4—O156.2 (2)O6—O15—O1159.2 (2)
O2—O4—O199.8 (3)O5—O15—O1174.1 (3)
OW17—O4—O154.3 (2)Cr3iii—O15—O7iii82.5 (3)
O10—O4—O192.4 (3)U1—O15—O7iii97.5 (3)
U2—O4—C3viii154.4 (4)O16iii—O15—O7iii84.4 (3)
O8—O4—C3viii100.7 (3)O13iii—O15—O7iii54.0 (2)
O2—O4—C3viii121.5 (3)O8v—O15—O7iii113.2 (3)
OW17—O4—C3viii135.3 (4)O7—O15—O7iii142.6 (3)
O10—O4—C3viii151.2 (4)O6—O15—O7iii52.7 (2)
O1—O4—C3viii115.1 (3)O5—O15—O7iii80.4 (3)
U2—O4—OW18vii115.1 (3)O11—O15—O7iii111.6 (3)
O8—O4—OW18vii100.8 (3)Cr3iii—O15—Cr197.9 (3)
O2—O4—OW18vii61.8 (3)U1—O15—Cr176.72 (19)
OW17—O4—OW18vii139.6 (3)O16iii—O15—Cr185.0 (3)
O10—O4—OW18vii88.8 (3)O13iii—O15—Cr177.2 (2)
O1—O4—OW18vii156.7 (3)O8v—O15—Cr1133.1 (3)
C3viii—O4—OW18vii69.4 (3)O7—O15—Cr1129.5 (3)
U2—O4—O10i96.7 (3)O6—O15—Cr126.52 (16)
O8—O4—O10i67.4 (2)O5—O15—Cr173.6 (2)
O2—O4—O10i128.8 (3)O11—O15—Cr184.8 (2)
OW17—O4—O10i89.0 (3)O7iii—O15—Cr126.86 (15)
O10—O4—O10i140.0 (2)Cr3iii—O15—O3v73.8 (3)
O1—O4—O10i48.8 (2)U1—O15—O3v100.4 (3)
C3viii—O4—O10i66.4 (3)O16iii—O15—O3v65.9 (3)
OW18vii—O4—O10i130.4 (3)O13iii—O15—O3v107.7 (3)
U2—O4—O30.71 (18)O8v—O15—O3v53.3 (2)
O8—O4—O354.3 (2)O7—O15—O3v66.2 (3)
O2—O4—O354.3 (2)O6—O15—O3v125.0 (3)
OW17—O4—O358.1 (2)O5—O15—O3v127.1 (3)
O10—O4—O352.2 (2)O11—O15—O3v71.9 (2)
O1—O4—O350.1 (2)O7iii—O15—O3v150.3 (3)
C3viii—O4—O3154.6 (3)Cr1—O15—O3v139.8 (3)
OW18vii—O4—O3115.8 (3)Cr3—O16—O15v35.2 (2)
O10i—O4—O396.4 (2)Cr3—O16—O1335.1 (2)
U2—O4—Cr2i78.6 (2)O15v—O16—O1360.7 (3)
O8—O4—Cr2i71.8 (2)Cr3—O16—O8vi36.9 (2)
O2—O4—Cr2i126.4 (3)O15v—O16—O8vi61.4 (3)
OW17—O4—Cr2i62.51 (19)O13—O16—O8vi60.2 (3)
O10—O4—Cr2i113.5 (3)Cr3—O16—C4xi114.4 (4)
O1—O4—Cr2i28.07 (14)O15v—O16—C4xi131.7 (4)
C3viii—O4—Cr2i90.6 (3)O13—O16—C4xi79.5 (3)
OW18vii—O4—Cr2i157.4 (3)O8vi—O16—C4xi121.8 (4)
O10i—O4—Cr2i26.95 (14)Cr3—O16—O1vi91.1 (4)
O3—O4—Cr2i78.02 (19)O15v—O16—O1vi107.9 (3)
U2—O4—O9i89.7 (3)O13—O16—O1vi106.0 (3)
O8—O4—O9i98.0 (3)O8vi—O16—O1vi54.2 (2)
O2—O4—O9i143.3 (3)C4xi—O16—O1vi108.5 (4)
OW17—O4—O9i49.1 (2)Cr3—O16—OW18v118.8 (4)
O10—O4—O9i103.8 (3)O15v—O16—OW18v90.4 (3)
O1—O4—O9i46.31 (19)O13—O16—OW18v151.1 (4)
C3viii—O4—O9i90.6 (3)O8vi—O16—OW18v107.1 (3)
OW18vii—O4—O9i154.7 (3)C4xi—O16—OW18v125.8 (3)
O10i—O4—O9i44.89 (19)O1vi—O16—OW18v80.9 (3)
O3—O4—O9i89.0 (2)Cr3—O16—O3vi77.7 (3)
Cr2i—O4—O9i26.69 (13)O15v—O16—O3vi70.4 (3)
U1—O5—O1553.9 (3)O13—O16—O3vi111.5 (3)
U1—O5—O752.5 (3)O8vi—O16—O3vi55.2 (2)
O15—O5—O756.2 (3)C4xi—O16—O3vi155.9 (4)
U1—O5—O1353.6 (2)O1vi—O16—O3vi48.7 (2)
O15—O5—O13100.0 (3)OW18v—O16—O3vi52.0 (2)
O7—O5—O1355.6 (2)Cr3—O16—O758.5 (3)
U1—O5—O651.5 (2)O15v—O16—O753.9 (2)
O15—O5—O657.0 (2)O13—O16—O743.1 (2)
O7—O5—O697.7 (3)O8vi—O16—O794.9 (3)
O13—O5—O697.7 (3)C4xi—O16—O778.7 (3)
U1—O5—O952.5 (2)O1vi—O16—O7147.8 (3)
O15—O5—O999.7 (3)OW18v—O16—O7121.3 (3)
O7—O5—O997.4 (3)O3vi—O16—O7124.3 (3)
O13—O5—O955.5 (2)Cr3—O16—O6v73.0 (3)
O6—O5—O954.9 (2)O15v—O16—O6v44.3 (2)
U1—O5—O1096.4 (3)O13—O16—O6v77.6 (3)
O15—O5—O10119.1 (3)O8vi—O16—O6v105.4 (3)
O7—O5—O10146.5 (3)C4xi—O16—O6v104.6 (4)
O13—O5—O1097.8 (3)O1vi—O16—O6v146.8 (3)
O6—O5—O1063.2 (2)OW18v—O16—O6v81.8 (3)
O9—O5—O1049.2 (2)O3vi—O16—O6v98.8 (2)
U1—O5—O110.70 (18)O7—O16—O6v39.63 (17)
O15—O5—O1153.3 (2)Cr3—O16—U2vi64.1 (3)
O7—O5—O1152.7 (2)O15v—O16—U2vi72.7 (2)
O13—O5—O1154.3 (2)O13—O16—U2vi92.4 (2)
O6—O5—O1151.0 (2)O8vi—O16—U2vi32.35 (17)
O9—O5—O1152.8 (2)C4xi—O16—U2vi139.1 (4)
O10—O5—O1196.4 (2)O1vi—O16—U2vi35.45 (14)
U1—O5—O3130.1 (3)OW18v—O16—U2vi77.0 (2)
O15—O5—O3107.9 (3)O3vi—O16—U2vi25.91 (13)
O7—O5—O3160.7 (3)O7—O16—U2vi121.3 (2)
O13—O5—O3143.5 (3)O6v—O16—U2vi112.7 (2)
O6—O5—O379.1 (2)Cr3—O16—O11v79.0 (3)
O9—O5—O396.2 (3)O15v—O16—O11v44.8 (2)
O10—O5—O348.09 (19)O13—O16—O11v103.7 (3)
O11—O5—O3129.7 (3)O8vi—O16—O11v92.1 (3)
U1—O5—O7iii86.4 (3)C4xi—O16—O11v139.9 (4)
O15—O5—O7iii53.4 (2)O1vi—O16—O11v108.8 (2)
O7—O5—O7iii109.7 (2)OW18v—O16—O11v48.5 (2)
O13—O5—O7iii139.0 (3)O3vi—O16—O11v60.38 (19)
O6—O5—O7iii43.0 (2)O7—O16—O11v77.8 (2)
O9—O5—O7iii95.0 (3)O6v—O16—O11v40.66 (16)
O10—O5—O7iii76.0 (2)U2vi—O16—O11v80.92 (17)
O11—O5—O7iii85.7 (2)U2—OW17—O1053.5 (2)
O3—O5—O7iii55.4 (2)U2—OW17—O153.4 (2)
U1—O5—O14v92.2 (3)O10—OW17—O1106.2 (3)
O15—O5—O14v76.7 (3)U2—OW17—O9i98.8 (3)
O7—O5—O14v39.7 (2)O10—OW17—O9i142.5 (4)
O13—O5—O14v76.7 (2)O1—OW17—O9i58.1 (2)
O6—O5—O14v131.9 (3)U2—OW17—O8iv126.8 (3)
O9—O5—O14v131.0 (3)O10—OW17—O8iv79.1 (3)
O10—O5—O14v164.1 (3)O1—OW17—O8iv162.9 (3)
O11—O5—O14v92.4 (2)O9i—OW17—O8iv107.8 (3)
O3—O5—O14v131.9 (2)U2—OW17—O436.88 (18)
O7iii—O5—O14v118.0 (2)O10—OW17—O463.9 (3)
U1—O5—O4iv102.2 (3)O1—OW17—O465.1 (3)
O15—O5—O4iv155.5 (3)O9i—OW17—O478.9 (3)
O7—O5—O4iv116.4 (3)O8iv—OW17—O4104.6 (3)
O13—O5—O4iv63.0 (2)U2—OW17—O13i119.1 (3)
O6—O5—O4iv105.5 (3)O10—OW17—O13i111.8 (3)
O9—O5—O4iv56.5 (2)O1—OW17—O13i110.0 (3)
O10—O5—O4iv51.84 (19)O9i—OW17—O13i55.8 (2)
O11—O5—O4iv102.7 (2)O8iv—OW17—O13i53.6 (2)
O3—O5—O4iv82.6 (2)O4—OW17—O13i82.3 (3)
O7iii—O5—O4iv127.6 (2)U2—OW17—O333.89 (16)
O14v—O5—O4iv113.3 (2)O10—OW17—O358.6 (3)
Cr1—O6—U1146.8 (4)O1—OW17—O356.5 (2)
Cr1—O6—O1435.5 (2)O9i—OW17—O3114.4 (3)
U1—O6—O14162.2 (4)O8iv—OW17—O3135.3 (3)
Cr1—O6—O7iii34.5 (2)O4—OW17—O370.8 (3)
U1—O6—O7iii114.6 (3)O13i—OW17—O3152.9 (3)
O14—O6—O7iii59.7 (3)U2—OW17—Cr2i74.45 (17)
Cr1—O6—O234.5 (2)O10—OW17—Cr2i126.8 (3)
U1—O6—O2135.1 (3)O1—OW17—Cr2i29.16 (16)
O14—O6—O258.9 (3)O9i—OW17—Cr2i29.00 (16)
O7iii—O6—O259.1 (3)O8iv—OW17—Cr2i135.7 (3)
Cr1—O6—O9136.0 (4)O4—OW17—Cr2i68.1 (2)
U1—O6—O954.9 (2)O13i—OW17—Cr2i82.1 (2)
O14—O6—O9140.6 (4)O3—OW17—Cr2i85.4 (2)
O7iii—O6—O9143.1 (4)U2—OW17—Cr3i122.8 (3)
O2—O6—O9101.5 (3)O10—OW17—Cr3i92.3 (3)
Cr1—O6—O15105.0 (3)O1—OW17—Cr3i135.7 (3)
U1—O6—O1553.6 (2)O9i—OW17—Cr3i82.7 (2)
O14—O6—O15110.2 (4)O8iv—OW17—Cr3i27.34 (15)
O7iii—O6—O1571.9 (3)O4—OW17—Cr3i89.5 (2)
O2—O6—O15128.2 (3)O13i—OW17—Cr3i27.06 (15)
O9—O6—O15108.5 (3)O3—OW17—Cr3i149.6 (3)
Cr1—O6—N1vii104.2 (3)Cr2i—OW17—Cr3i109.00 (18)
U1—O6—N1vii105.1 (3)U2—OW17—O4iv111.0 (2)
O14—O6—N1vii68.8 (3)O10—OW17—O4iv60.1 (2)
O7iii—O6—N1vii120.5 (4)O1—OW17—O4iv150.1 (3)
O2—O6—N1vii115.7 (3)O9i—OW17—O4iv148.9 (3)
O9—O6—N1vii95.8 (3)O8iv—OW17—O4iv46.5 (2)
O15—O6—N1vii102.3 (3)O4—OW17—O4iv120.2 (2)
Cr1—O6—O11160.6 (4)O13i—OW17—O4iv100.0 (2)
U1—O6—O1138.63 (18)O3—OW17—O4iv95.9 (2)
O14—O6—O11131.3 (3)Cr2i—OW17—O4iv171.6 (3)
O7iii—O6—O11134.3 (3)Cr3i—OW17—O4iv73.83 (16)
O2—O6—O11164.7 (4)U2—OW17—O1iv88.0 (2)
O9—O6—O1163.3 (3)O10—OW17—O1iv38.9 (2)
O15—O6—O1162.8 (3)O1—OW17—O1iv140.6 (3)
N1vii—O6—O1166.6 (3)O9i—OW17—O1iv132.6 (3)
Cr1—O6—O5113.7 (3)O8iv—OW17—O1iv40.51 (19)
U1—O6—O536.07 (17)O4—OW17—O1iv79.3 (2)
O14—O6—O5147.8 (4)O13i—OW17—O1iv79.9 (2)
O7iii—O6—O588.7 (3)O3—OW17—O1iv97.1 (2)
O2—O6—O5100.8 (3)Cr2i—OW17—O1iv144.5 (2)
O9—O6—O562.7 (2)Cr3i—OW17—O1iv55.53 (13)
O15—O6—O560.4 (3)O4iv—OW17—O1iv43.63 (16)
N1vii—O6—O5141.1 (3)U2—OW17—HW1A109.7
O11—O6—O574.7 (3)O10—OW17—HW1A150.8
Cr1—O6—O1291.8 (3)O1—OW17—HW1A58.4
U1—O6—O12108.0 (3)O9i—OW17—HW1A54.2
O14—O6—O1287.9 (3)O8iv—OW17—HW1A123.4
O7iii—O6—O12122.7 (3)O4—OW17—HW1A119.4
O2—O6—O1263.8 (2)O13i—OW17—HW1A97.2
O9—O6—O1253.1 (2)O3—OW17—HW1A93.9
O15—O6—O12161.6 (3)Cr2i—OW17—HW1A52.1
N1vii—O6—O1280.5 (3)Cr3i—OW17—HW1A116.2
O11—O6—O12102.9 (3)O4iv—OW17—HW1A119.5
O5—O6—O12106.0 (3)O1iv—OW17—HW1A160.7
Cr1—O6—Cr2105.5 (3)U2—OW17—HW1B109.7
U1—O6—Cr283.4 (2)O10—OW17—HW1B64.8
O14—O6—Cr2114.0 (3)O1—OW17—HW1B137.3
O7iii—O6—Cr2124.6 (3)O9i—OW17—HW1B150.8
O2—O6—Cr271.4 (2)O8iv—OW17—HW1B59.8
O9—O6—Cr231.21 (16)O4—OW17—HW1B128.4
O15—O6—Cr2134.9 (3)O13i—OW17—HW1B112.0
N1vii—O6—Cr2101.6 (3)O3—OW17—HW1B87.6
O11—O6—Cr293.3 (2)Cr2i—OW17—HW1B158.2
O5—O6—Cr277.1 (2)Cr3i—OW17—HW1B87.1
O12—O6—Cr228.99 (14)O4iv—OW17—HW1B14.8
Cr1v—O7—U1163.9 (5)O1iv—OW17—HW1B56.9
Cr1v—O7—O14v34.1 (3)HW1A—OW17—HW1B108.0
U1—O7—O14v132.3 (4)N2xii—OW18—O12ix115.2 (4)
Cr1v—O7—O2v35.5 (2)N2xii—OW18—O3v78.2 (3)
U1—O7—O2v139.5 (4)O12ix—OW18—O3v103.5 (4)
O14v—O7—O2v59.2 (3)N2xii—OW18—C1vii89.2 (4)
Cr1v—O7—O6v35.4 (2)O12ix—OW18—C1vii130.6 (4)
U1—O7—O6v158.4 (4)O3v—OW18—C1vii123.9 (4)
O14v—O7—O6v58.6 (3)N2xii—OW18—O2ix114.7 (3)
O2v—O7—O6v60.9 (3)O12ix—OW18—O2ix62.2 (2)
Cr1v—O7—O13131.0 (5)O3v—OW18—O2ix163.4 (4)
U1—O7—O1355.0 (2)C1vii—OW18—O2ix68.7 (3)
O14v—O7—O13112.8 (4)N2xii—OW18—O11139.4 (4)
O2v—O7—O13165.5 (4)O12ix—OW18—O11101.7 (3)
O6v—O7—O13104.7 (3)O3v—OW18—O1177.2 (3)
Cr1v—O7—O15116.6 (4)C1vii—OW18—O1178.5 (3)
U1—O7—O1554.4 (2)O2ix—OW18—O1196.8 (3)
O14v—O7—O15111.8 (4)N2xii—OW18—O4ix63.3 (3)
O2v—O7—O1585.1 (3)O12ix—OW18—O4ix77.2 (3)
O6v—O7—O15145.2 (4)O3v—OW18—O4ix136.3 (4)
O13—O7—O15109.4 (3)C1vii—OW18—O4ix77.4 (3)
Cr1v—O7—O11155.4 (5)O2ix—OW18—O4ix52.3 (2)
U1—O7—O1137.54 (18)O11—OW18—O4ix146.3 (4)
O14v—O7—O11169.7 (4)N2xii—OW18—O16iii63.1 (3)
O2v—O7—O11126.1 (4)O12ix—OW18—O16iii168.5 (4)
O6v—O7—O11131.2 (4)O3v—OW18—O16iii65.0 (2)
O13—O7—O1164.0 (3)C1vii—OW18—O16iii60.7 (3)
O15—O7—O1162.5 (3)O2ix—OW18—O16iii129.3 (4)
Cr1v—O7—O5128.6 (5)O11—OW18—O16iii77.3 (3)
U1—O7—O536.69 (18)O4ix—OW18—O16iii110.1 (3)
O14v—O7—O595.6 (4)N2xii—OW18—O14ix152.3 (4)
O2v—O7—O5127.8 (4)O12ix—OW18—O14ix71.8 (3)
O6v—O7—O5145.8 (4)O3v—OW18—O14ix127.8 (3)
O13—O7—O562.4 (3)C1vii—OW18—O14ix68.8 (3)
O15—O7—O561.5 (3)O2ix—OW18—O14ix42.4 (2)
O11—O7—O574.2 (3)O11—OW18—O14ix54.7 (2)
Cr1v—O7—O15v89.6 (3)O4ix—OW18—O14ix94.5 (3)
U1—O7—O15v103.0 (3)O16iii—OW18—O14ix115.4 (3)
O14v—O7—O15v97.7 (3)N2xii—OW18—O1v39.8 (2)
O2v—O7—O15v114.3 (3)O12ix—OW18—O1v122.9 (3)
O6v—O7—O15v55.4 (2)O3v—OW18—O1v39.7 (2)
O13—O7—O15v52.7 (2)C1vii—OW18—O1v103.6 (3)
O15—O7—O15v150.3 (3)O2ix—OW18—O1v154.5 (3)
O11—O7—O15v87.9 (3)O11—OW18—O1v105.6 (3)
O5—O7—O15v113.8 (3)O4ix—OW18—O1v102.7 (3)
Cr1v—O7—Cr3105.1 (3)O16iii—OW18—O1v47.8 (2)
U1—O7—Cr382.9 (2)O14ix—OW18—O1v159.4 (3)
O14v—O7—Cr397.3 (3)N2xii—OW18—O1597.2 (3)
O2v—O7—Cr3137.6 (3)O12ix—OW18—O15137.3 (3)
O6v—O7—Cr376.7 (2)O3v—OW18—O1555.0 (2)
O13—O7—Cr327.98 (18)C1vii—OW18—O1573.3 (3)
O15—O7—Cr3137.3 (3)O2ix—OW18—O15129.0 (3)
O11—O7—Cr383.5 (2)O11—OW18—O1542.2 (2)
O5—O7—Cr385.9 (3)O4ix—OW18—O15144.9 (3)
O15v—O7—Cr328.23 (15)O16iii—OW18—O1537.46 (18)
Cr1v—O7—O3v83.5 (4)O14ix—OW18—O1592.6 (2)
U1—O7—O3v103.0 (3)O1v—OW18—O1566.83 (18)
O14v—O7—O3v113.5 (4)N2xii—OW18—O10ix97.2 (3)
O2v—O7—O3v54.7 (3)O12ix—OW18—O10ix36.0 (2)
O6v—O7—O3v84.3 (3)O3v—OW18—O10ix132.7 (3)
O13—O7—O3v130.0 (4)C1vii—OW18—O10ix102.8 (3)
O15—O7—O3v68.8 (3)O2ix—OW18—O10ix39.26 (18)
O11—O7—O3v73.2 (3)O11—OW18—O10ix123.2 (3)
O5—O7—O3v129.0 (3)O4ix—OW18—O10ix42.62 (18)
O15v—O7—O3v103.1 (3)O16iii—OW18—O10ix152.6 (3)
Cr3—O7—O3v127.5 (3)O14ix—OW18—O10ix72.7 (2)
Cr3ii—O8—U2131.8 (4)O1v—OW18—O10ix127.9 (3)
Cr3ii—O8—O16ii34.7 (2)O15—OW18—O10ix165.0 (3)
U2—O8—O16ii109.0 (3)N2xii—OW18—HW1C109.6
Cr3ii—O8—O13ii35.8 (2)O12ix—OW18—HW1C129.5
U2—O8—O13ii167.5 (3)O3v—OW18—HW1C63.9
O16ii—O8—O13ii59.8 (3)C1vii—OW18—HW1C70.0
Cr3ii—O8—O15iii34.5 (2)O2ix—OW18—HW1C117.4
U2—O8—O15iii110.6 (3)O11—OW18—HW1C29.9
O16ii—O8—O15iii59.2 (3)O4ix—OW18—HW1C146.8
O13ii—O8—O15iii59.8 (3)O16iii—OW18—HW1C47.7
Cr3ii—O8—O1109.0 (3)O14ix—OW18—HW1C79.5
U2—O8—O154.3 (2)O1v—OW18—HW1C79.9
O16ii—O8—O174.3 (3)O15—OW18—HW1C13.1
O13ii—O8—O1122.3 (3)O10ix—OW18—HW1C151.9
O15iii—O8—O1123.0 (3)N2xii—OW18—HW1D109.5
Cr3ii—O8—O4170.1 (4)O12ix—OW18—HW1D35.3
U2—O8—O438.29 (18)O3v—OW18—HW1D68.3
O16ii—O8—O4138.9 (3)C1vii—OW18—HW1D160.2
O13ii—O8—O4154.1 (3)O2ix—OW18—HW1D96.6
O15iii—O8—O4140.5 (3)O11—OW18—HW1D90.6
O1—O8—O465.6 (3)O4ix—OW18—HW1D104.7
Cr3ii—O8—OW17i102.4 (3)O16iii—OW18—HW1D133.3
U2—O8—OW17i123.2 (3)O14ix—OW18—HW1D91.3
O16ii—O8—OW17i107.6 (3)O1v—OW18—HW1D95.2
O13ii—O8—OW17i68.0 (3)O15—OW18—HW1D109.4
O15iii—O8—OW17i125.2 (3)O10ix—OW18—HW1D69.3
O1—O8—OW17i97.8 (3)HW1C—OW18—HW1D108.0
O4—O8—OW17i86.9 (3)N1—C1—O14ix76.1 (6)
Cr3ii—O8—O2116.1 (4)N1—C1—OW18ix84.4 (7)
U2—O8—O251.0 (2)O14ix—C1—OW18ix132.5 (5)
O16ii—O8—O2127.2 (3)N1—C1—H1A109.5
O13ii—O8—O2129.6 (3)O14ix—C1—H1A174.4
O15iii—O8—O281.6 (3)OW18ix—C1—H1A50.4
O1—O8—O2105.2 (3)N1—C1—H1B109.7
O4—O8—O259.8 (2)O14ix—C1—H1B68.3
OW17i—O8—O2124.4 (3)OW18ix—C1—H1B78.8
Cr3ii—O8—O395.2 (3)H1A—C1—H1B109.7
U2—O8—O336.64 (18)N1—C1—H1C109.2
O16ii—O8—O377.1 (3)O14ix—C1—H1C67.3
O13ii—O8—O3130.9 (3)OW18ix—C1—H1C159.3
O15iii—O8—O379.2 (3)H1A—C1—H1C109.3
O1—O8—O358.6 (2)H1B—C1—H1C109.4
O4—O8—O374.9 (3)C1—N1—C2111.9 (9)
OW17i—O8—O3154.5 (3)C1—N1—O6ix112.8 (6)
O2—O8—O360.9 (2)C2—N1—O6ix106.1 (7)
Cr3ii—O8—O10i118.7 (3)C1—N1—O14vi131.1 (7)
U2—O8—O10i85.6 (2)C2—N1—O14vi78.7 (6)
O16ii—O8—O10i95.5 (3)O6ix—N1—O14vi108.8 (4)
O13ii—O8—O10i100.4 (3)C1—N1—O14ix76.3 (6)
O15iii—O8—O10i152.9 (3)C2—N1—O14ix87.0 (6)
O1—O8—O10i49.2 (2)O6ix—N1—O14ix52.6 (2)
O4—O8—O10i64.9 (2)O14vi—N1—O14ix152.3 (4)
OW17i—O8—O10i48.9 (2)C1—N1—O11ix118.5 (7)
O2—O8—O10i124.7 (3)C2—N1—O11ix129.5 (7)
O3—O8—O10i106.2 (3)O6ix—N1—O11ix57.0 (2)
Cr3ii—O8—O7iii75.7 (3)O14vi—N1—O11ix66.6 (3)
U2—O8—O7iii75.3 (2)O14ix—N1—O11ix107.1 (3)
O16ii—O8—O7iii90.8 (3)C1—N1—H1D109.7
O13ii—O8—O7iii98.3 (3)C2—N1—H1D62.5
O15iii—O8—O7iii41.6 (2)O6ix—N1—H1D48.5
O1—O8—O7iii116.4 (3)O14vi—N1—H1D116.8
O4—O8—O7iii98.9 (3)O14ix—N1—H1D36.0
OW17i—O8—O7iii144.7 (3)O11ix—N1—H1D101.5
O2—O8—O7iii40.66 (19)C1—N1—H1E109.4
O3—O8—O7iii57.8 (2)C2—N1—H1E138.3
O10i—O8—O7iii161.0 (3)O6ix—N1—H1E61.2
Cr2—O9—U1135.4 (4)O14vi—N1—H1E70.2
Cr2—O9—O1iv36.9 (2)O14ix—N1—H1E108.2
U1—O9—O1iv161.8 (3)O11ix—N1—H1E9.4
Cr2—O9—O1233.7 (2)H1D—N1—H1E108.0
U1—O9—O12125.4 (3)N1—C2—O14vi72.2 (6)
O1iv—O9—O1259.2 (3)N1—C2—H2A109.7
Cr2—O9—O1034.4 (2)O14vi—C2—H2A159.0
U1—O9—O10105.2 (3)N1—C2—H2B109.5
O1iv—O9—O1060.5 (3)O14vi—C2—H2B52.8
O12—O9—O1059.2 (3)H2A—C2—H2B109.1
Cr2—O9—O689.6 (3)N1—C2—H2C109.7
U1—O9—O653.5 (2)O14vi—C2—H2C88.5
O1iv—O9—O6126.3 (3)H2A—C2—H2C109.6
O12—O9—O672.0 (3)H2B—C2—H2C109.2
O10—O9—O676.8 (3)N2—C3—O4xiii77.8 (6)
Cr2—O9—O13149.0 (4)N2—C3—H3A109.4
U1—O9—O1354.4 (2)O4xiii—C3—H3A140.7
O1iv—O9—O13122.1 (3)N2—C3—H3B109.4
O12—O9—O13176.9 (4)O4xiii—C3—H3B103.7
O10—O9—O13123.9 (3)H3A—C3—H3B109.4
O6—O9—O13107.9 (3)N2—C3—H3C109.6
Cr2—O9—OW17iv96.3 (3)O4xiii—C3—H3C37.2
U1—O9—OW17iv121.8 (3)H3A—C3—H3C109.5
O1iv—O9—OW17iv59.5 (2)H3B—C3—H3C109.6
O12—O9—OW17iv112.4 (3)C3—N2—C4112.9 (9)
O10—O9—OW17iv109.2 (3)C3—N2—OW18xiv116.7 (7)
O6—O9—OW17iv173.8 (3)C4—N2—OW18xiv111.9 (7)
O13—O9—OW17iv67.6 (3)C3—N2—O1iv118.8 (6)
Cr2—O9—O11145.4 (4)C4—N2—O1iv92.6 (7)
U1—O9—O1137.27 (18)OW18xiv—N2—O1iv101.2 (3)
O1iv—O9—O11160.9 (3)C3—N2—H2D119.9
O12—O9—O11114.3 (3)C4—N2—H2D69.2
O10—O9—O11134.3 (3)OW18xiv—N2—H2D46.6
O6—O9—O1159.9 (2)O1iv—N2—H2D121.1
O13—O9—O1163.5 (3)C3—N2—H2E120.2
OW17iv—O9—O11113.9 (3)C4—N2—H2E87.9
Cr2—O9—O5108.7 (3)OW18xiv—N2—H2E103.8
U1—O9—O535.93 (17)O1iv—N2—H2E4.8
O1iv—O9—O5125.9 (3)H2D—N2—H2E119.9
O12—O9—O5120.5 (3)N2—C4—O16x148.9 (9)
O10—O9—O574.4 (3)N2—C4—H4A109.4
O6—O9—O562.3 (2)O16x—C4—H4A46.2
O13—O9—O561.5 (2)N2—C4—H4B109.4
OW17iv—O9—O5116.9 (3)O16x—C4—H4B71.8
O11—O9—O573.2 (3)H4A—C4—H4B109.5
Cr2—O9—O4iv74.3 (3)N2—C4—H4C109.4
U1—O9—O4iv109.9 (2)O16x—C4—H4C98.7
O1iv—O9—O4iv55.1 (2)H4A—C4—H4C109.6
O12—O9—O4iv107.5 (3)H4B—C4—H4C109.6
O10—O9—O4iv64.4 (2)
Symmetry codes: (i) x1, y+1/2, z1; (ii) x, y+1, z; (iii) x1, y+1/2, z; (iv) x1, y1/2, z1; (v) x1, y1/2, z; (vi) x, y1, z; (vii) x, y+1/2, z; (viii) x, y+1/2, z1; (ix) x, y1/2, z; (x) x+1, y, z; (xi) x1, y, z; (xii) x, y, z+1; (xiii) x, y1/2, z1; (xiv) x, y, z1.
(compound_2) top
Crystal data top
Cr3H8K1.4O20Rb0.6U2F(000) = 1889
Mr = 1066.12Dx = 3.710 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 11.0898 (7) ÅCell parameters from 3600 reflections
b = 10.5667 (7) Åθ = 2.0–27.8°
c = 16.2713 (10) ŵ = 20.44 mm1
β = 90.109 (1)°T = 150 K
V = 1906.7 (2) Å3Plane, red
Z = 40.34 × 0.30 × 0.27 mm
Data collection top
Bruker Kappa APEXII DUO
diffractometer
3824 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.112
π and ω scansθmax = 28.0°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Bruker, 2012)
h = 1414
Tmin = 0.659, Tmax = 0.822k = 1313
21653 measured reflectionsl = 2121
4605 independent reflections
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters not refined
R[F2 > 2σ(F2)] = 0.046 w = 1/[σ2(Fo2) + (0.0709P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.115(Δ/σ)max = 0.001
S = 1.00Δρmax = 3.20 e Å3
4605 reflectionsΔρmin = 6.60 e Å3
247 parametersExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.00088 (12)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
U10.08903 (3)0.93136 (3)0.18101 (2)0.01750 (12)
U20.38937 (3)1.46721 (3)0.26782 (2)0.01718 (12)
Cr10.10099 (14)1.41887 (13)0.15270 (10)0.0193 (3)
Cr20.39911 (14)1.17970 (13)0.12370 (9)0.0187 (3)
Cr30.20833 (14)1.23378 (13)0.26700 (10)0.0201 (3)
Rb10.10446 (17)1.25464 (16)0.00961 (12)0.0506 (7)0.573 (11)
K10.10446 (17)1.25464 (16)0.00961 (12)0.0506 (7)0.427 (11)
K20.3159 (3)1.1020 (3)0.40271 (17)0.0458 (7)
O10.5165 (6)1.0805 (6)0.1255 (4)0.0239 (14)
O20.2464 (7)1.4573 (6)0.1628 (4)0.0263 (15)
O30.2717 (7)1.4363 (7)0.3380 (5)0.0286 (16)
O40.5091 (6)1.4976 (7)0.1990 (5)0.0286 (15)
O50.0184 (7)0.9862 (7)0.0894 (5)0.0323 (17)
O60.0856 (7)1.2706 (6)0.1199 (4)0.0268 (15)
O70.0328 (7)1.4309 (6)0.2426 (5)0.0283 (16)
O80.3309 (6)1.3236 (6)0.2458 (5)0.0255 (15)
O90.2711 (6)1.0953 (6)0.1073 (4)0.0256 (15)
O100.3906 (7)1.2557 (6)0.2110 (5)0.0309 (17)
O110.1613 (7)0.8777 (7)0.2719 (5)0.0325 (16)
O120.4175 (8)1.2772 (7)0.0495 (5)0.0378 (19)
O130.1893 (7)1.1305 (6)0.1910 (5)0.0320 (17)
O140.0387 (9)1.5099 (8)0.0878 (5)0.044 (2)
O150.0917 (7)1.3248 (6)0.2745 (6)0.040 (2)
O160.2263 (9)1.1592 (8)0.3499 (5)0.046 (2)
OW170.5118 (7)1.3127 (6)0.3510 (4)0.0282 (16)
H20A0.47541.27050.40000.034*
H20B0.59691.29350.33500.034*
OW180.1460 (11)1.2726 (9)0.4481 (7)0.066 (3)
HW1C0.10221.26200.50130.079*
HW1D0.12721.34620.41170.079*
OW190.3371 (13)0.9200 (9)0.5190 (7)0.073 (4)
HW1E0.28570.92330.56940.088*
HW1F0.39630.84950.51160.088*
OW200.3398 (8)1.1221 (7)0.0178 (5)0.0360 (18)
HW1A0.34521.03600.04310.043*
HW1B0.41381.16340.00480.043*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
U10.0172 (2)0.02137 (18)0.01391 (19)0.00065 (12)0.00021 (13)0.00055 (11)
U20.0164 (2)0.01909 (18)0.01610 (19)0.00097 (11)0.00226 (13)0.00015 (11)
Cr10.0201 (8)0.0191 (6)0.0187 (8)0.0001 (5)0.0014 (6)0.0005 (5)
Cr20.0177 (8)0.0209 (6)0.0177 (7)0.0011 (5)0.0001 (6)0.0008 (5)
Cr30.0181 (8)0.0196 (6)0.0226 (8)0.0001 (5)0.0034 (6)0.0011 (5)
Rb10.0516 (12)0.0543 (11)0.0457 (11)0.0103 (7)0.0068 (8)0.0055 (7)
K10.0516 (12)0.0543 (11)0.0457 (11)0.0103 (7)0.0068 (8)0.0055 (7)
K20.0381 (16)0.0679 (17)0.0315 (14)0.0123 (13)0.0055 (11)0.0152 (12)
O10.022 (4)0.029 (3)0.021 (4)0.005 (3)0.003 (3)0.001 (3)
O20.025 (4)0.038 (4)0.016 (4)0.008 (3)0.005 (3)0.000 (3)
O30.021 (4)0.040 (4)0.024 (4)0.006 (3)0.002 (3)0.002 (3)
O40.019 (4)0.035 (3)0.032 (4)0.002 (3)0.007 (3)0.002 (3)
O50.038 (5)0.031 (3)0.028 (4)0.005 (3)0.010 (3)0.001 (3)
O60.038 (4)0.022 (3)0.020 (4)0.001 (3)0.003 (3)0.000 (3)
O70.030 (4)0.026 (3)0.029 (4)0.003 (3)0.011 (3)0.007 (3)
O80.015 (4)0.025 (3)0.037 (4)0.003 (2)0.002 (3)0.007 (3)
O90.020 (4)0.035 (3)0.023 (4)0.004 (3)0.005 (3)0.006 (3)
O100.035 (5)0.021 (3)0.036 (4)0.001 (3)0.008 (3)0.009 (3)
O110.029 (4)0.044 (4)0.024 (4)0.003 (3)0.003 (3)0.003 (3)
O120.044 (5)0.039 (4)0.030 (4)0.010 (4)0.002 (4)0.011 (3)
O130.031 (4)0.031 (3)0.033 (4)0.013 (3)0.008 (3)0.007 (3)
O140.052 (6)0.040 (4)0.041 (5)0.006 (4)0.015 (4)0.015 (4)
O150.020 (4)0.026 (3)0.072 (6)0.007 (3)0.013 (4)0.004 (4)
O160.060 (6)0.042 (4)0.036 (5)0.002 (4)0.001 (4)0.015 (4)
OW170.036 (4)0.029 (3)0.019 (4)0.013 (3)0.001 (3)0.002 (3)
OW180.083 (8)0.056 (5)0.058 (7)0.010 (5)0.038 (6)0.013 (5)
OW190.115 (11)0.056 (6)0.048 (7)0.023 (6)0.000 (7)0.015 (5)
OW200.041 (5)0.040 (4)0.027 (4)0.001 (3)0.007 (3)0.002 (3)
Geometric parameters (Å, º) top
U1—O111.774 (7)Rb1—O5ii3.305 (8)
U1—O51.779 (7)Rb1—O133.363 (8)
U1—O7i2.344 (7)Rb1—O143.506 (9)
U1—O6ii2.355 (6)Rb1—Cr3vi4.116 (2)
U1—O9ii2.368 (7)K2—OW192.708 (12)
U1—O132.385 (7)K2—OW182.711 (11)
U1—O15iii2.412 (7)K2—O11ii2.740 (8)
U1—K1ii4.2498 (18)K2—O4viii2.781 (8)
U1—Rb1ii4.2498 (18)K2—O12vi2.932 (8)
U1—Rb14.4135 (18)K2—O16ii3.056 (9)
U2—O31.766 (7)K2—Rb1ix4.692 (4)
U2—O41.768 (7)O1—U2viii2.351 (7)
U2—O8iv2.331 (6)O4—K2v2.781 (8)
U2—O22.332 (7)O5—Rb1ii3.305 (8)
U2—O1v2.351 (7)O6—U1ii2.354 (6)
U2—O102.419 (6)O7—U1vi2.344 (7)
U2—OW172.517 (7)O8—U2iv2.331 (6)
Cr1—O141.586 (8)O9—U1ii2.368 (7)
Cr1—O71.653 (7)O11—K2ii2.740 (8)
Cr1—O61.664 (6)O12—K2i2.932 (8)
Cr1—O21.670 (7)O14—K1iv2.888 (8)
Cr1—Rb13.893 (2)O14—Rb1iv2.888 (8)
Cr1—Rb1iv4.162 (2)O15—U1x2.412 (7)
Cr2—O121.601 (8)O16—K2ii3.056 (9)
Cr2—O101.634 (7)O16—Rb1i3.069 (9)
Cr2—O11.672 (7)O16—K1i3.069 (9)
Cr2—O91.697 (7)OW17—H20A1.0000
Cr3—O161.575 (8)OW17—H20B1.0000
Cr3—O151.616 (7)OW18—K1vi2.878 (12)
Cr3—O131.662 (7)OW18—Rb1vi2.878 (12)
Cr3—O81.694 (7)OW18—HW1C1.0000
Cr3—Rb1i4.116 (2)OW18—HW1D1.0000
Rb1—OW18i2.878 (12)OW19—K1ix3.119 (14)
Rb1—O14iv2.888 (8)OW19—Rb1ix3.119 (14)
Rb1—OW202.965 (9)OW19—HW1E1.0000
Rb1—O62.982 (8)OW19—HW1F1.0000
Rb1—O16vi3.069 (9)OW20—HW1A1.0000
Rb1—OW19vii3.119 (14)OW20—HW1B1.0000
Rb1—O53.263 (8)
O11—U1—O5179.2 (4)O6—Rb1—O5ii53.75 (17)
O11—U1—O7i90.9 (3)O16vi—Rb1—O5ii89.9 (2)
O5—U1—O7i89.4 (3)OW19vii—Rb1—O5ii142.7 (3)
O11—U1—O6ii94.0 (3)O5—Rb1—O5ii53.4 (2)
O5—U1—O6ii86.2 (3)OW18i—Rb1—O1391.1 (3)
O7i—U1—O6ii141.0 (3)O14iv—Rb1—O1391.2 (2)
O11—U1—O9ii90.0 (3)OW20—Rb1—O1362.1 (2)
O5—U1—O9ii89.3 (3)O6—Rb1—O13146.97 (19)
O7i—U1—O9ii146.7 (2)O16vi—Rb1—O13137.4 (2)
O6ii—U1—O9ii72.0 (3)OW19vii—Rb1—O1386.9 (2)
O11—U1—O1390.9 (3)O5—Rb1—O1352.63 (18)
O5—U1—O1388.5 (3)O5ii—Rb1—O13104.00 (17)
O7i—U1—O1371.7 (2)OW18i—Rb1—O1475.4 (3)
O6ii—U1—O13146.7 (3)O14iv—Rb1—O1454.7 (3)
O9ii—U1—O1375.0 (2)OW20—Rb1—O14141.4 (2)
O11—U1—O15iii88.5 (3)O6—Rb1—O1447.05 (18)
O5—U1—O15iii92.2 (3)O16vi—Rb1—O1465.7 (2)
O7i—U1—O15iii69.5 (2)OW19vii—Rb1—O1488.0 (3)
O6ii—U1—O15iii72.0 (3)O5—Rb1—O14135.7 (2)
O9ii—U1—O15iii143.8 (2)O5ii—Rb1—O14100.73 (18)
O13—U1—O15iii141.2 (3)O13—Rb1—O14145.32 (19)
O11—U1—K1ii133.4 (2)OW18i—Rb1—Cr169.1 (2)
O5—U1—K1ii47.0 (2)O14iv—Rb1—Cr176.51 (18)
O7i—U1—K1ii112.5 (2)OW20—Rb1—Cr1139.04 (16)
O6ii—U1—K1ii42.68 (18)O6—Rb1—Cr123.59 (12)
O9ii—U1—K1ii90.29 (18)O16vi—Rb1—Cr163.35 (18)
O13—U1—K1ii133.83 (19)OW19vii—Rb1—Cr1105.5 (2)
O15iii—U1—K1ii65.5 (2)O5—Rb1—Cr1119.10 (15)
O11—U1—Rb1ii133.4 (2)O5ii—Rb1—Cr176.83 (13)
O5—U1—Rb1ii47.0 (2)O13—Rb1—Cr1158.72 (15)
O7i—U1—Rb1ii112.5 (2)O14—Rb1—Cr124.04 (13)
O6ii—U1—Rb1ii42.68 (18)OW18i—Rb1—Cr3vi120.3 (2)
O9ii—U1—Rb1ii90.29 (18)O14iv—Rb1—Cr3vi117.9 (2)
O13—U1—Rb1ii133.83 (19)OW20—Rb1—Cr3vi79.01 (16)
O15iii—U1—Rb1ii65.5 (2)O6—Rb1—Cr3vi61.28 (15)
K1ii—U1—Rb1ii0.0O16vi—Rb1—Cr3vi19.05 (15)
O11—U1—Rb1139.1 (3)OW19vii—Rb1—Cr3vi78.3 (2)
O5—U1—Rb140.2 (2)O5—Rb1—Cr3vi119.34 (14)
O7i—U1—Rb182.97 (18)O5ii—Rb1—Cr3vi70.80 (14)
O6ii—U1—Rb1115.79 (17)O13—Rb1—Cr3vi140.81 (14)
O9ii—U1—Rb174.80 (16)O14—Rb1—Cr3vi70.80 (16)
O13—U1—Rb148.8 (2)Cr1—Rb1—Cr3vi60.04 (4)
O15iii—U1—Rb1125.8 (2)OW19—K2—OW18109.9 (3)
K1ii—U1—Rb185.2OW19—K2—O11ii130.7 (3)
Rb1ii—U1—Rb185.23 (4)OW18—K2—O11ii74.1 (3)
O3—U2—O4179.0 (4)OW19—K2—O4viii94.3 (3)
O3—U2—O8iv94.0 (3)OW18—K2—O4viii155.8 (3)
O4—U2—O8iv86.5 (3)O11ii—K2—O4viii90.3 (2)
O3—U2—O287.9 (3)OW19—K2—O12vi73.0 (3)
O4—U2—O293.1 (3)OW18—K2—O12vi75.8 (3)
O8iv—U2—O275.0 (2)O11ii—K2—O12vi146.9 (3)
O3—U2—O1v86.8 (3)O4viii—K2—O12vi112.9 (2)
O4—U2—O1v92.5 (3)OW19—K2—O16ii65.3 (3)
O8iv—U2—O1v75.7 (2)OW18—K2—O16ii116.8 (3)
O2—U2—O1v149.8 (2)O11ii—K2—O16ii69.5 (2)
O3—U2—O1094.7 (3)O4viii—K2—O16ii72.6 (2)
O4—U2—O1085.4 (3)O12vi—K2—O16ii138.3 (3)
O8iv—U2—O10145.0 (3)OW19—K2—Rb1ix39.5 (3)
O2—U2—O1071.5 (2)OW18—K2—Rb1ix94.1 (2)
O1v—U2—O10138.6 (2)O11ii—K2—Rb1ix92.11 (18)
O3—U2—OW1786.0 (3)O4viii—K2—Rb1ix105.07 (16)
O4—U2—OW1793.1 (3)O12vi—K2—Rb1ix103.30 (18)
O8iv—U2—OW17147.9 (2)O16ii—K2—Rb1ix40.10 (17)
O2—U2—OW17136.9 (2)Cr2—O1—U2viii132.6 (4)
O1v—U2—OW1772.2 (2)Cr1—O2—U2137.5 (4)
O10—U2—OW1766.6 (2)U2—O4—K2v167.1 (4)
O14—Cr1—O7110.1 (4)U1—O5—Rb1119.2 (3)
O14—Cr1—O6108.2 (4)U1—O5—Rb1ii109.8 (3)
O7—Cr1—O6108.1 (3)Rb1—O5—Rb1ii126.6 (2)
O14—Cr1—O2109.7 (4)Cr1—O6—U1ii135.7 (4)
O7—Cr1—O2109.7 (4)Cr1—O6—Rb1110.6 (3)
O6—Cr1—O2111.0 (4)U1ii—O6—Rb1105.0 (2)
O14—Cr1—Rb164.2 (3)Cr1—O7—U1vi141.5 (4)
O7—Cr1—Rb1111.5 (3)Cr3—O8—U2iv136.3 (4)
O6—Cr1—Rb145.8 (3)Cr2—O9—U1ii134.1 (4)
O2—Cr1—Rb1137.6 (3)Cr2—O10—U2141.9 (4)
O14—Cr1—Rb1iv29.5 (3)U1—O11—K2ii154.7 (4)
O7—Cr1—Rb1iv115.8 (2)Cr2—O12—K2i147.7 (5)
O6—Cr1—Rb1iv127.0 (2)Cr3—O13—U1133.5 (4)
O2—Cr1—Rb1iv81.0 (2)Cr3—O13—Rb1115.6 (3)
Rb1—Cr1—Rb1iv89.77 (5)U1—O13—Rb198.9 (2)
O12—Cr2—O10110.3 (4)Cr1—O14—K1iv134.9 (5)
O12—Cr2—O1108.5 (4)Cr1—O14—Rb1iv134.9 (5)
O10—Cr2—O1109.8 (4)K1iv—O14—Rb1iv0.0
O12—Cr2—O9109.1 (4)Cr1—O14—Rb191.8 (3)
O10—Cr2—O9110.2 (4)K1iv—O14—Rb1125.3
O1—Cr2—O9108.9 (3)Rb1iv—O14—Rb1125.3 (3)
O16—Cr3—O15109.5 (5)Cr3—O15—U1x165.0 (5)
O16—Cr3—O13108.9 (4)Cr3—O16—K2ii137.1 (5)
O15—Cr3—O13110.3 (4)Cr3—O16—Rb1i121.5 (4)
O16—Cr3—O8110.8 (4)K2ii—O16—Rb1i100.0 (2)
O15—Cr3—O8108.9 (4)Cr3—O16—K1i121.5 (4)
O13—Cr3—O8108.5 (3)K2ii—O16—K1i100.0 (2)
O16—Cr3—Rb1i39.5 (3)Rb1i—O16—K1i0.00 (6)
O15—Cr3—Rb1i71.6 (3)U2—OW17—H20A120.0
O13—Cr3—Rb1i134.2 (3)U2—OW17—H20B120.0
O8—Cr3—Rb1i113.9 (3)H20A—OW17—H20B120.0
OW18i—Rb1—O14iv74.7 (3)K2—OW18—K1vi132.1 (4)
OW18i—Rb1—OW20142.4 (3)K2—OW18—Rb1vi132.1 (4)
O14iv—Rb1—OW20127.6 (2)K1vi—OW18—Rb1vi0.0
OW18i—Rb1—O659.5 (3)K2—OW18—HW1C120.0
O14iv—Rb1—O694.8 (2)K1vi—OW18—HW1C46.4
OW20—Rb1—O6132.8 (2)Rb1vi—OW18—HW1C46.4
OW18i—Rb1—O16vi131.2 (3)K2—OW18—HW1D120.0
O14iv—Rb1—O16vi103.2 (2)K1vi—OW18—HW1D91.1
OW20—Rb1—O16vi77.8 (2)Rb1vi—OW18—HW1D91.1
O6—Rb1—O16vi72.3 (2)HW1C—OW18—HW1D120.0
OW18i—Rb1—OW19vii147.5 (3)K2—OW19—K1ix107.0 (4)
O14iv—Rb1—OW19vii72.9 (3)K2—OW19—Rb1ix107.0 (4)
OW20—Rb1—OW19vii62.3 (2)K1ix—OW19—Rb1ix0.0
O6—Rb1—OW19vii125.9 (3)K2—OW19—HW1E120.0
O16vi—Rb1—OW19vii60.7 (3)K1ix—OW19—HW1E65.6
OW18i—Rb1—O562.3 (2)Rb1ix—OW19—HW1E65.6
O14iv—Rb1—O5120.0 (2)K2—OW19—HW1F120.0
OW20—Rb1—O580.2 (2)K1ix—OW19—HW1F96.9
O6—Rb1—O597.09 (19)Rb1ix—OW19—HW1F96.9
O16vi—Rb1—O5136.4 (2)HW1E—OW19—HW1F120.0
OW19vii—Rb1—O5135.2 (3)Rb1—OW20—HW1A120.0
OW18i—Rb1—O5ii69.0 (3)Rb1—OW20—HW1B120.0
O14iv—Rb1—O5ii140.7 (2)HW1A—OW20—HW1B120.0
OW20—Rb1—O5ii91.2 (2)
Symmetry codes: (i) x, y+5/2, z+1/2; (ii) x, y+2, z; (iii) x, y1/2, z+1/2; (iv) x, y+3, z; (v) x1, y+1/2, z1/2; (vi) x, y+5/2, z1/2; (vii) x, y+1/2, z1/2; (viii) x1, y1/2, z1/2; (ix) x, y1/2, z1/2; (x) x, y+1/2, z+1/2.
(compound_3) top
Crystal data top
C8H26Cr3N2O17U2F(000) = 1816
Mr = 1054.34Dx = 2.830 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 11.4334 (17) ÅCell parameters from 2570 reflections
b = 11.5250 (13) Åθ = 1.8–27.8°
c = 18.790 (3) ŵ = 14.40 mm1
β = 92.427 (5)°T = 150 K
V = 2473.7 (6) Å3Plate, red
Z = 40.26 × 0.22 × 0.19 mm
Data collection top
Bruker Kappa APEXII DUO
diffractometer
4991 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.046
π and ω scansθmax = 28.0°, θmin = 1.8°
Absorption correction: multi-scane
(SADABS; Bruker, 2012)
h = 1515
Tmin = 0.568, Tmax = 0.841k = 1315
25245 measured reflectionsl = 2424
5969 independent reflections
Refinement top
Refinement on F2H-atom parameters not defined
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0301P)2 + 23.9724P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.033(Δ/σ)max = 0.001
wR(F2) = 0.079Δρmax = 4.48 e Å3
S = 1.02Δρmin = 3.68 e Å3
5969 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
290 parametersExtinction coefficient: 0.00013 (3)
0 restraints
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
U10.09219 (2)0.89260 (2)0.21220 (2)0.01604 (7)
U20.37883 (2)1.53968 (2)0.22896 (2)0.02376 (8)
Cr10.09064 (9)1.43573 (9)0.15778 (6)0.0174 (2)
Cr20.38934 (10)1.22594 (11)0.17230 (6)0.0248 (3)
Cr30.16222 (9)1.21500 (9)0.20288 (6)0.0182 (2)
O10.5130 (5)1.1708 (6)0.2023 (4)0.057 (2)
O20.2205 (4)1.5011 (4)0.1463 (3)0.0241 (11)
O30.2864 (5)1.5263 (5)0.3034 (3)0.0359 (13)
O40.4687 (5)1.5540 (6)0.1565 (4)0.0453 (16)
O50.0309 (4)0.9399 (4)0.1286 (3)0.0252 (11)
O60.1077 (5)1.2938 (4)0.1619 (3)0.0286 (12)
O70.0386 (4)1.4812 (5)0.2337 (3)0.0270 (11)
O80.2928 (4)1.2791 (4)0.2032 (3)0.0257 (11)
O90.2836 (4)1.1253 (4)0.1720 (3)0.0268 (11)
O100.3582 (5)1.3373 (5)0.2241 (4)0.0449 (16)
O110.1492 (5)0.8491 (5)0.2974 (3)0.0288 (12)
O120.4006 (7)1.2754 (7)0.0946 (4)0.063 (2)
O130.1823 (4)1.0768 (4)0.2257 (3)0.0261 (11)
O140.0045 (5)1.4702 (5)0.0913 (3)0.0340 (13)
O150.0771 (5)1.2812 (5)0.2591 (3)0.0300 (12)
O160.1005 (5)1.2208 (5)0.1242 (3)0.0369 (14)
OW170.5512 (5)1.4372 (6)0.2916 (4)0.0506 (18)
N10.1470 (6)1.3657 (6)0.3763 (3)0.0298 (14)
N20.1723 (6)1.6213 (6)0.0140 (4)0.0346 (16)
C10.2198 (7)0.6665 (8)0.4438 (4)0.0314 (17)
C20.1491 (9)1.2576 (9)0.0167 (5)0.047 (2)
C30.3347 (8)0.7183 (10)0.4181 (5)0.050 (3)
C40.2387 (12)1.0565 (10)0.0122 (6)0.063 (3)
C50.2723 (8)1.3355 (8)0.0300 (4)0.0367 (19)
C60.3509 (9)1.7395 (11)0.0185 (6)0.061 (3)
C70.2170 (13)1.2638 (13)0.0894 (7)0.093 (6)
C80.3337 (15)1.4440 (14)0.0523 (12)0.131 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
U10.01613 (12)0.01403 (12)0.01808 (12)0.00049 (9)0.00198 (8)0.00075 (9)
U20.01532 (13)0.01649 (14)0.03937 (17)0.00019 (10)0.00018 (10)0.00334 (11)
Cr10.0175 (5)0.0151 (5)0.0195 (5)0.0011 (4)0.0018 (4)0.0006 (4)
Cr20.0196 (6)0.0271 (6)0.0273 (6)0.0054 (5)0.0031 (4)0.0047 (5)
Cr30.0149 (5)0.0152 (5)0.0244 (6)0.0010 (4)0.0014 (4)0.0012 (4)
O10.026 (3)0.030 (4)0.113 (6)0.004 (3)0.026 (3)0.008 (4)
O20.023 (3)0.025 (3)0.025 (3)0.003 (2)0.005 (2)0.000 (2)
O30.035 (3)0.035 (3)0.037 (3)0.005 (3)0.004 (2)0.009 (3)
O40.032 (3)0.047 (4)0.059 (4)0.010 (3)0.023 (3)0.003 (3)
O50.027 (3)0.026 (3)0.023 (3)0.001 (2)0.001 (2)0.001 (2)
O60.029 (3)0.019 (3)0.038 (3)0.002 (2)0.011 (2)0.003 (2)
O70.024 (3)0.025 (3)0.032 (3)0.001 (2)0.010 (2)0.006 (2)
O80.021 (2)0.017 (3)0.040 (3)0.005 (2)0.007 (2)0.004 (2)
O90.021 (3)0.022 (3)0.038 (3)0.006 (2)0.005 (2)0.002 (2)
O100.044 (4)0.024 (3)0.066 (4)0.002 (3)0.006 (3)0.001 (3)
O110.028 (3)0.033 (3)0.025 (3)0.001 (2)0.003 (2)0.004 (2)
O120.072 (5)0.080 (6)0.036 (4)0.027 (4)0.000 (3)0.012 (4)
O130.023 (3)0.015 (3)0.040 (3)0.000 (2)0.001 (2)0.002 (2)
O140.031 (3)0.035 (3)0.035 (3)0.006 (2)0.010 (2)0.007 (2)
O150.025 (3)0.026 (3)0.040 (3)0.008 (2)0.013 (2)0.004 (2)
O160.033 (3)0.047 (4)0.030 (3)0.007 (3)0.006 (2)0.006 (3)
OW170.028 (3)0.033 (4)0.089 (5)0.009 (3)0.013 (3)0.012 (3)
N10.030 (3)0.031 (4)0.027 (3)0.001 (3)0.003 (3)0.004 (3)
N20.033 (4)0.043 (4)0.028 (4)0.011 (3)0.009 (3)0.003 (3)
C10.027 (4)0.038 (5)0.029 (4)0.003 (3)0.004 (3)0.005 (3)
C20.049 (6)0.052 (6)0.040 (5)0.013 (5)0.001 (4)0.017 (4)
C30.035 (5)0.068 (7)0.045 (5)0.007 (5)0.007 (4)0.015 (5)
C40.088 (9)0.054 (7)0.045 (6)0.016 (6)0.011 (6)0.011 (5)
C50.038 (5)0.042 (5)0.031 (4)0.013 (4)0.010 (3)0.005 (4)
C60.041 (6)0.084 (9)0.057 (7)0.031 (6)0.010 (5)0.008 (6)
C70.099 (10)0.110 (11)0.067 (8)0.066 (9)0.037 (7)0.060 (8)
C80.105 (12)0.076 (11)0.22 (2)0.001 (9)0.105 (14)0.065 (12)
Geometric parameters (Å, º) top
U1—O111.775 (5)N1—O5vii3.024 (8)
U1—O51.778 (5)N1—U1vii4.197 (7)
U1—O7i2.348 (5)N2—C5v1.523 (10)
U1—O9ii2.354 (5)N2—C8v2.391 (14)
U1—O6ii2.357 (5)N2—C7v2.424 (12)
U1—O132.368 (5)N2—C62.454 (12)
U1—O15iii2.403 (5)N2—O16v2.901 (9)
U1—N1i4.197 (7)N2—O14v2.962 (9)
U2—O41.747 (6)N2—C2v3.933 (12)
U2—O31.796 (6)N2—C24.237 (12)
U2—O1iv2.312 (6)C1—C4iii1.524 (13)
U2—O102.345 (6)C1—N1ii1.532 (10)
U2—O8v2.350 (5)C1—C2iii1.536 (12)
U2—O22.377 (5)C1—C31.540 (13)
U2—OW172.543 (6)C2—C1viii1.536 (12)
Cr1—O141.608 (5)C2—N1i2.462 (11)
Cr1—O61.649 (5)C2—C42.535 (15)
Cr1—O71.654 (5)C2—C3viii2.537 (14)
Cr1—O21.686 (5)C2—N2v3.933 (12)
Cr1—N23.600 (7)C2—C8v4.10 (2)
Cr2—O121.577 (7)C3—N1ii2.453 (11)
Cr2—O11.629 (6)C3—C2iii2.537 (14)
Cr2—O101.659 (6)C3—C4iii2.554 (17)
Cr2—O91.675 (5)C3—C6ix3.769 (13)
Cr3—O161.612 (6)C3—C8i3.932 (19)
Cr3—O151.653 (5)C4—C1viii1.524 (13)
Cr3—O131.663 (5)C4—N1i2.471 (12)
Cr3—O81.665 (5)C4—C3viii2.554 (17)
O1—U2vi2.312 (6)C4—C6x3.906 (17)
O2—N22.879 (9)C4—C7ii3.97 (2)
O3—N12.833 (9)C5—C81.502 (16)
O5—N1i3.024 (8)C5—C71.506 (14)
O6—U1ii2.357 (5)C5—N2v1.523 (10)
O7—U1vii2.348 (5)C5—C6v1.523 (13)
O8—U2v2.350 (5)C6—C5v1.523 (13)
O9—U1ii2.354 (5)C6—C7v2.489 (15)
O11—N1ii2.887 (9)C6—C8v2.502 (19)
O14—N2v2.962 (9)C6—C3xi3.769 (13)
O14—N23.009 (9)C6—C4xii3.906 (17)
O15—U1viii2.403 (5)C7—N2v2.424 (12)
O16—N2v2.901 (9)C7—C6v2.489 (15)
O16—N1i3.001 (9)C7—C82.55 (2)
N1—C1ii1.533 (10)C7—C4ii3.97 (2)
N1—C3ii2.453 (11)C8—N2v2.391 (14)
N1—C2vii2.462 (11)C8—C6v2.502 (19)
N1—C4vii2.471 (12)C8—C3vii3.932 (19)
N1—O11ii2.887 (9)C8—C2v4.10 (2)
N1—O16vii3.001 (9)C8—C8xiii4.40 (4)
O11—U1—O5177.6 (2)O2—N2—O14v120.4 (3)
O11—U1—O7i90.1 (2)O16v—N2—O14v119.6 (3)
O5—U1—O7i87.6 (2)C5v—N2—O14163.7 (6)
O11—U1—O9ii87.3 (2)C8v—N2—O14126.2 (5)
O5—U1—O9ii94.7 (2)C7v—N2—O14149.7 (4)
O7i—U1—O9ii144.18 (18)C6—N2—O14148.4 (4)
O11—U1—O6ii94.2 (2)O2—N2—O1453.67 (18)
O5—U1—O6ii87.6 (2)O16v—N2—O1479.2 (2)
O7i—U1—O6ii142.98 (18)O14v—N2—O1471.6 (2)
O9ii—U1—O6ii72.82 (18)C5v—N2—Cr1145.7 (5)
O11—U1—O1390.9 (2)C8v—N2—Cr1115.7 (6)
O5—U1—O1388.4 (2)C7v—N2—Cr1175.2 (4)
O7i—U1—O1371.38 (18)C6—N2—Cr1123.1 (4)
O9ii—U1—O1372.95 (18)O2—N2—Cr127.40 (11)
O6ii—U1—O13145.09 (18)O16v—N2—Cr175.32 (19)
O11—U1—O15iii85.2 (2)O14v—N2—Cr195.6 (2)
O5—U1—O15iii94.0 (2)O14—N2—Cr126.27 (12)
O7i—U1—O15iii72.55 (18)C5v—N2—C2v127.9 (5)
O9ii—U1—O15iii142.53 (18)C8v—N2—C2v149.4 (7)
O6ii—U1—O15iii71.21 (18)C7v—N2—C2v92.6 (5)
O13—U1—O15iii143.69 (18)C6—N2—C2v125.4 (4)
O11—U1—N1i138.9 (2)O2—N2—C2v107.7 (3)
O5—U1—N1i38.79 (19)O16v—N2—C2v58.4 (2)
O7i—U1—N1i49.03 (16)O14v—N2—C2v61.5 (2)
O9ii—U1—N1i122.02 (15)O14—N2—C2v65.4 (2)
O6ii—U1—N1i120.31 (16)Cr1—N2—C2v85.9 (2)
O13—U1—N1i73.78 (15)C5v—N2—C2107.1 (5)
O15iii—U1—N1i85.74 (16)C8v—N2—C270.3 (4)
O4—U2—O3179.5 (3)C7v—N2—C2116.4 (5)
O4—U2—O1iv93.1 (3)C6—N2—C2127.0 (4)
O3—U2—O1iv86.5 (3)O2—N2—C269.5 (2)
O4—U2—O1097.2 (3)O16v—N2—C2134.4 (3)
O3—U2—O1083.3 (3)O14v—N2—C261.3 (2)
O1iv—U2—O10136.2 (2)O14—N2—C257.0 (2)
O4—U2—O8v90.6 (2)Cr1—N2—C259.85 (17)
O3—U2—O8v88.9 (2)C2v—N2—C2107.4 (2)
O1iv—U2—O8v75.1 (2)C4iii—C1—N1ii107.9 (7)
O10—U2—O8v146.6 (2)C4iii—C1—C2iii111.8 (8)
O4—U2—O288.0 (3)N1ii—C1—C2iii106.7 (6)
O3—U2—O292.1 (2)C4iii—C1—C3112.9 (8)
O1iv—U2—O2149.5 (2)N1ii—C1—C3106.0 (7)
O10—U2—O273.5 (2)C2iii—C1—C3111.1 (8)
O8v—U2—O274.42 (18)C1viii—C2—N1i36.6 (4)
O4—U2—OW1786.3 (3)C1viii—C2—C433.9 (5)
O3—U2—OW1794.0 (3)N1i—C2—C459.3 (4)
O1iv—U2—OW1770.1 (2)C1viii—C2—C3viii34.5 (5)
O10—U2—OW1768.3 (2)N1i—C2—C3viii58.8 (3)
O8v—U2—OW17144.8 (2)C4—C2—C3viii60.5 (4)
O2—U2—OW17140.3 (2)C1viii—C2—N2v139.4 (6)
O14—Cr1—O6110.4 (3)N1i—C2—N2v103.8 (3)
O14—Cr1—O7111.2 (3)C4—C2—N2v134.5 (5)
O6—Cr1—O7108.7 (3)C3viii—C2—N2v150.6 (4)
O14—Cr1—O2107.7 (3)C1viii—C2—C8v102.1 (6)
O6—Cr1—O2110.2 (3)N1i—C2—C8v109.8 (4)
O7—Cr1—O2108.6 (3)C4—C2—C8v124.2 (5)
O14—Cr1—N255.9 (2)C3viii—C2—C8v67.9 (4)
O6—Cr1—N2126.2 (2)N2v—C2—C8v101.1 (3)
O7—Cr1—N2125.0 (2)C1viii—C2—N2135.3 (6)
O2—Cr1—N251.8 (2)N1i—C2—N2132.9 (4)
O12—Cr2—O1111.0 (4)C4—C2—N2151.3 (5)
O12—Cr2—O10106.9 (4)C3viii—C2—N2101.2 (4)
O1—Cr2—O10107.6 (4)N2v—C2—N272.6 (2)
O12—Cr2—O9109.6 (3)C8v—C2—N233.3 (2)
O1—Cr2—O9110.3 (3)C1—C3—N1ii36.9 (4)
O10—Cr2—O9111.4 (3)C1—C3—C2iii34.4 (5)
O16—Cr3—O15108.7 (3)N1ii—C3—C2iii59.1 (3)
O16—Cr3—O13109.0 (3)C1—C3—C4iii33.4 (5)
O15—Cr3—O13110.9 (3)N1ii—C3—C4iii59.1 (4)
O16—Cr3—O8110.0 (3)C2iii—C3—C4iii59.7 (4)
O15—Cr3—O8110.2 (3)C1—C3—C6ix140.0 (6)
O13—Cr3—O8108.1 (3)N1ii—C3—C6ix164.1 (5)
Cr2—O1—U2vi152.2 (4)C2iii—C3—C6ix129.1 (4)
Cr1—O2—U2130.6 (3)C4iii—C3—C6ix110.9 (5)
Cr1—O2—N2100.8 (3)C1—C3—C8i109.4 (6)
U2—O2—N2125.9 (2)N1ii—C3—C8i115.3 (5)
U2—O3—N1142.6 (3)C2iii—C3—C8i75.3 (4)
U1—O5—N1i119.6 (3)C4iii—C3—C8i130.3 (5)
Cr1—O6—U1ii155.8 (3)C6ix—C3—C8i80.6 (4)
Cr1—O7—U1vii146.0 (3)C1viii—C4—N1i36.2 (4)
Cr3—O8—U2v139.7 (3)C1viii—C4—C234.2 (5)
Cr2—O9—U1ii137.8 (3)N1i—C4—C258.9 (3)
Cr2—O10—U2140.2 (4)C1viii—C4—C3viii33.7 (5)
U1—O11—N1ii134.0 (3)N1i—C4—C3viii58.4 (4)
Cr3—O13—U1141.0 (3)C2—C4—C3viii59.8 (4)
Cr1—O14—N2v144.0 (3)C1viii—C4—C6x153.6 (7)
Cr1—O14—N297.8 (3)N1i—C4—C6x126.1 (5)
N2v—O14—N2108.4 (2)C2—C4—C6x171.9 (5)
Cr3—O15—U1viii153.0 (3)C3viii—C4—C6x127.8 (5)
Cr3—O16—N2v123.7 (3)C1viii—C4—C7ii124.7 (6)
Cr3—O16—N1i111.4 (3)N1i—C4—C7ii90.6 (4)
N2v—O16—N1i120.1 (3)C2—C4—C7ii145.0 (5)
C1ii—N1—C3ii37.1 (4)C3viii—C4—C7ii120.9 (5)
C1ii—N1—C2vii36.7 (4)C6x—C4—C7ii36.8 (2)
C3ii—N1—C2vii62.1 (4)C8—C5—C7115.9 (13)
C1ii—N1—C4vii35.9 (5)C8—C5—N2v104.5 (9)
C3ii—N1—C4vii62.5 (4)C7—C5—N2v106.3 (8)
C2vii—N1—C4vii61.8 (4)C8—C5—C6v111.6 (11)
C1ii—N1—O3105.2 (5)C7—C5—C6v110.5 (9)
C3ii—N1—O384.8 (3)N2v—C5—C6v107.3 (7)
C2vii—N1—O3141.8 (4)C5v—C6—N236.3 (4)
C4vii—N1—O386.9 (4)C5v—C6—C7v34.5 (5)
C1ii—N1—O11ii101.6 (5)N2—C6—C7v58.7 (4)
C3ii—N1—O11ii78.4 (3)C5v—C6—C8v33.9 (7)
C2vii—N1—O11ii85.7 (3)N2—C6—C8v57.7 (4)
C4vii—N1—O11ii137.2 (4)C7v—C6—C8v61.4 (7)
O3—N1—O11ii107.1 (3)C5v—C6—C3xi142.5 (8)
C1ii—N1—O16vii113.7 (5)N2—C6—C3xi149.7 (5)
C3ii—N1—O16vii133.0 (4)C7v—C6—C3xi143.6 (5)
C2vii—N1—O16vii77.7 (3)C8v—C6—C3xi109.2 (6)
C4vii—N1—O16vii119.3 (4)C5v—C6—C4xii105.1 (7)
O3—N1—O16vii139.9 (3)N2—C6—C4xii104.3 (5)
O11ii—N1—O16vii75.0 (2)C7v—C6—C4xii73.0 (5)
C1ii—N1—O5vii123.1 (5)C8v—C6—C4xii134.0 (7)
C3ii—N1—O5vii151.7 (4)C3xi—C6—C4xii103.2 (4)
C2vii—N1—O5vii115.8 (4)C5—C7—N2v37.1 (4)
C4vii—N1—O5vii91.0 (4)C5—C7—C6v35.0 (5)
O3—N1—O5vii83.8 (2)N2v—C7—C6v59.9 (4)
O11ii—N1—O5vii129.8 (3)C5—C7—C832.0 (7)
O16vii—N1—O5vii67.2 (2)N2v—C7—C857.4 (5)
C1ii—N1—U1vii144.1 (5)C6v—C7—C859.5 (6)
C3ii—N1—U1vii159.3 (4)C5—C7—C4ii102.8 (8)
C2vii—N1—U1vii133.7 (3)N2v—C7—C4ii103.1 (6)
C4vii—N1—U1vii109.9 (4)C6v—C7—C4ii70.2 (5)
O3—N1—U1vii75.25 (18)C8—C7—C4ii129.3 (6)
O11ii—N1—U1vii112.7 (2)C5—C8—N2v38.1 (5)
O16vii—N1—U1vii67.70 (17)C5—C8—C6v34.5 (6)
O5vii—N1—U1vii21.61 (11)N2v—C8—C6v60.1 (4)
C5v—N2—C8v37.5 (6)C5—C8—C732.1 (7)
C5v—N2—C7v36.6 (5)N2v—C8—C758.6 (5)
C8v—N2—C7v64.0 (7)C6v—C8—C759.0 (5)
C5v—N2—C636.3 (5)C5—C8—C3vii150.2 (9)
C8v—N2—C662.2 (5)N2v—C8—C3vii113.1 (6)
C7v—N2—C661.4 (4)C6v—C8—C3vii155.7 (9)
C5v—N2—O2120.4 (5)C7—C8—C3vii140.5 (8)
C8v—N2—O2100.0 (6)C5—C8—C2v113.7 (8)
C7v—N2—O2156.4 (4)N2v—C8—C2v76.4 (5)
C6—N2—O296.3 (4)C6v—C8—C2v130.6 (6)
C5v—N2—O16v115.1 (5)C7—C8—C2v117.4 (6)
C8v—N2—O16v144.8 (5)C3vii—C8—C2v36.7 (2)
C7v—N2—O16v107.8 (5)C5—C8—C8xiii121.7 (12)
C6—N2—O16v83.5 (4)N2v—C8—C8xiii122.1 (10)
O2—N2—O16v74.6 (2)C6v—C8—C8xiii87.9 (8)
C5v—N2—O14v105.1 (5)C7—C8—C8xiii142.5 (8)
C8v—N2—O14v93.4 (6)C3vii—C8—C8xiii76.4 (4)
C7v—N2—O14v79.6 (4)C2v—C8—C8xiii97.0 (6)
C6—N2—O14v139.8 (4)
Symmetry codes: (i) x, y+5/2, z+1/2; (ii) x, y+2, z; (iii) x, y1/2, z+1/2; (iv) x1, y+1/2, z1/2; (v) x, y+3, z; (vi) x1, y1/2, z1/2; (vii) x, y+5/2, z1/2; (viii) x, y+1/2, z+1/2; (ix) x+1, y+5/2, z+1/2; (x) x, y1, z; (xi) x1, y+5/2, z1/2; (xii) x, y+1, z; (xiii) x+1, y+3, z.
(compound_4) top
Crystal data top
C8H38Cr6N4O35U4Dx = 3.282 Mg m3
Mr = 2014.54Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P212121Cell parameters from 2540 reflections
a = 11.1281 (10) Åθ = 1.2–27.8°
b = 11.152 (1) ŵ = 17.47 mm1
c = 32.850 (3) ÅT = 150 K
V = 4076.7 (6) Å3Plate, red
Z = 40.25 × 0.20 × 0.17 mm
F(000) = 3624
Data collection top
Bruker Kappa APEXII DUO
diffractometer
7726 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.054
π and ω scansθmax = 28.0°, θmin = 1.2°
Absorption correction: multi-scan
(SADABS; Bruker, 2012)
h = 1114
Tmin = 0.640, Tmax = 0.746k = 146
16152 measured reflectionsl = 4333
8521 independent reflections
Refinement top
Refinement on F2H-atom parameters not refined
Least-squares matrix: full w = 1/[σ2(Fo2) + 85.643P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.049(Δ/σ)max = 0.005
wR(F2) = 0.111Δρmax = 2.99 e Å3
S = 1.07Δρmin = 2.27 e Å3
8521 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
281 parametersExtinction coefficient: 0.00012 (3)
0 restraintsAbsolute structure: Refined as an inversion twin.
Hydrogen site location: inferred from neighbouring sitesAbsolute structure parameter: 0.395 (13)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a 2-component inversion twin.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
U10.79273 (6)0.34185 (6)0.02681 (2)0.00768 (16)
U20.87286 (6)0.86690 (6)0.00050 (3)0.00959 (17)
U30.04887 (6)0.11194 (6)0.21643 (2)0.00715 (16)
U40.46409 (6)0.18507 (6)0.23093 (3)0.00819 (17)
Cr10.9574 (3)1.1516 (3)0.05072 (11)0.0094 (6)
Cr20.6725 (2)0.6449 (3)0.05160 (11)0.0086 (7)
Cr30.6217 (3)1.0713 (3)0.02092 (12)0.0131 (7)
Cr40.3835 (3)0.1141 (3)0.18602 (11)0.0087 (7)
Cr50.2004 (3)0.3741 (2)0.26527 (11)0.0097 (7)
Cr60.1263 (3)0.2152 (3)0.20220 (11)0.0096 (7)
O10.7422 (11)0.7758 (12)0.0466 (5)0.009 (3)*
O20.8997 (12)1.0093 (12)0.0515 (5)0.011 (3)*
O30.8535 (12)0.7573 (12)0.0382 (5)0.014 (3)*
O40.8906 (11)0.9734 (11)0.0377 (4)0.007 (3)*
O50.7385 (12)0.3940 (13)0.0212 (5)0.015 (3)*
O61.1051 (12)1.1439 (12)0.0589 (5)0.013 (3)*
O70.9282 (11)1.2133 (11)0.0069 (5)0.010 (3)*
O80.6775 (12)0.9317 (12)0.0176 (5)0.015 (3)*
O90.7796 (12)0.5407 (11)0.0536 (5)0.008 (3)*
O100.5830 (12)0.6251 (13)0.0121 (5)0.017 (3)*
O110.8521 (13)0.2929 (13)0.0744 (5)0.016 (3)*
O120.5951 (11)0.6454 (12)0.0931 (5)0.010 (3)*
O130.4741 (11)1.0584 (11)0.0124 (5)0.008 (3)*
O140.8961 (13)1.2274 (13)0.0862 (5)0.018 (3)*
O150.6866 (11)1.1617 (11)0.0123 (5)0.010 (3)*
O160.6418 (14)1.1201 (15)0.0658 (6)0.026 (4)*
OW170.9777 (13)0.7048 (13)0.0396 (5)0.017 (3)*
HW3C0.98050.72760.06900.020*
HW3D1.06220.69570.02970.020*
O180.0640 (11)0.0839 (11)0.1894 (5)0.008 (3)*
O190.2748 (13)0.1974 (13)0.2011 (5)0.017 (3)*
O200.1294 (12)0.5034 (11)0.2682 (5)0.010 (3)*
O210.1100 (13)0.0633 (12)0.2632 (5)0.016 (3)*
O220.5182 (13)0.2724 (13)0.1903 (5)0.017 (3)*
O230.4093 (12)0.0962 (12)0.2714 (5)0.015 (3)*
O240.1525 (11)0.2983 (11)0.2255 (5)0.008 (3)*
O250.1790 (12)0.2987 (12)0.3056 (5)0.012 (3)*
O260.0140 (13)0.1620 (13)0.1701 (5)0.018 (3)*
O270.2353 (11)0.0886 (11)0.1829 (5)0.008 (3)*
O280.4562 (13)0.0171 (12)0.1880 (5)0.012 (3)*
O290.3482 (11)0.4081 (11)0.2617 (4)0.007 (3)*
O300.4141 (13)0.1931 (13)0.2262 (6)0.021 (4)*
O310.0882 (13)0.2569 (13)0.2480 (6)0.019 (3)*
O320.0851 (13)0.3163 (14)0.1699 (5)0.018 (3)*
O330.4278 (13)0.1835 (14)0.1463 (5)0.021 (4)*
OW340.3449 (12)0.3474 (12)0.2633 (5)0.013 (3)*
HW3A0.36770.42650.25130.016*
HW3B0.36220.35000.29320.016*
OW350.439 (3)0.968 (3)0.0706 (10)0.079 (8)*
HW3E0.43331.04520.05550.094*
HW3F0.36270.95630.08630.094*
C10.5671 (19)0.3733 (19)0.0942 (8)0.018 (5)*
H1A0.50500.42450.08070.022*
H1B0.59070.30660.07550.022*
H1C0.53340.33900.11990.022*
C20.279 (2)0.069 (2)0.3483 (8)0.022 (5)*
H2A0.30840.05610.31980.027*
H2B0.30550.14960.35810.027*
H2C0.31350.00540.36640.027*
C30.724 (3)0.906 (4)0.1361 (13)0.060 (10)*
H3A0.79660.95920.13810.072*
H3B0.74160.83850.11690.072*
H3C0.70480.87320.16360.072*
C40.709 (2)0.889 (2)0.1258 (9)0.027 (5)*
H4A0.66980.93230.10270.033*
H4B0.69760.80040.12220.033*
H4C0.67230.91480.15210.033*
C50.880 (3)1.003 (3)0.1577 (10)0.037 (7)*
H5A0.82550.99470.18170.044*
H5B0.96490.98630.16640.044*
H5C0.87491.08650.14670.044*
C60.663 (2)0.580 (3)0.0916 (10)0.036 (7)*
H6A0.57690.60440.09570.043*
H6B0.71590.63280.10840.043*
H6C0.68420.58950.06220.043*
C70.100 (2)0.062 (2)0.3460 (9)0.023 (5)*
H7A0.16680.11920.35300.027*
H7B0.03220.07410.36550.027*
H7C0.07220.07800.31760.027*
C80.686 (3)0.105 (4)0.1113 (14)0.066 (11)*
H8A0.73800.13030.13460.079*
H8B0.62080.16500.10710.079*
H8C0.73600.09870.08610.079*
N10.679 (2)0.450 (2)0.1043 (9)0.043 (6)*
H1D0.74990.44350.12290.051*
H1E0.60630.42220.11930.051*
N20.626 (4)0.027 (4)0.1215 (13)0.087 (12)*
H2D0.55200.04860.13710.104*
H2E0.61190.04610.09210.104*
N30.1446 (16)0.0617 (16)0.3491 (6)0.016 (4)*
H3D0.10340.10370.37210.020*
H3E0.23290.06150.35470.020*
N40.8450 (17)0.9178 (18)0.1262 (7)0.023 (4)*
H4D0.86920.94900.09880.028*
H4E0.88670.83950.13070.028*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
U10.0044 (3)0.0088 (3)0.0099 (4)0.0003 (2)0.0007 (3)0.0012 (3)
U20.0056 (3)0.0077 (3)0.0155 (4)0.0002 (2)0.0016 (3)0.0004 (3)
U30.0035 (3)0.0076 (3)0.0103 (4)0.0006 (2)0.0002 (3)0.0000 (3)
U40.0033 (3)0.0079 (3)0.0134 (4)0.0001 (2)0.0002 (3)0.0011 (3)
Cr10.0043 (12)0.0117 (14)0.0122 (18)0.0003 (11)0.0004 (15)0.0003 (12)
Cr20.0030 (12)0.0101 (14)0.0127 (18)0.0003 (10)0.0046 (14)0.0015 (13)
Cr30.0082 (14)0.0137 (14)0.017 (2)0.0008 (12)0.0021 (16)0.0012 (14)
Cr40.0033 (12)0.0056 (13)0.017 (2)0.0009 (11)0.0009 (14)0.0001 (12)
Cr50.0059 (13)0.0032 (12)0.020 (2)0.0010 (11)0.0015 (15)0.0019 (12)
Cr60.0040 (13)0.0092 (13)0.016 (2)0.0003 (11)0.0000 (15)0.0026 (12)
Geometric parameters (Å, º) top
U1—O111.782 (16)O15—O162.66 (2)
U1—O51.786 (16)O15—O6viii2.80 (2)
U1—O6i2.344 (14)O15—O5xi2.87 (2)
U1—O13ii2.353 (13)O15—O11xi3.11 (2)
U1—O7iii2.357 (13)O15—O7viii3.200 (18)
U1—O15iii2.378 (13)O15—Cr1viii3.526 (13)
U1—O92.391 (13)O16—C1xi3.09 (3)
U1—O103.957 (14)O16—O11i3.38 (2)
U1—O14iii4.090 (17)O16—O32ii3.55 (3)
U1—O16ii4.113 (16)O16—O5xi3.56 (2)
U1—O7i4.155 (12)O16—O7viii3.85 (2)
U1—OW35ii4.17 (3)OW17—O8ii2.79 (2)
U2—O41.739 (13)OW17—O10ii2.80 (2)
U2—O31.752 (15)OW17—O13ii3.069 (19)
U2—O22.328 (15)OW17—Cr3ii3.525 (15)
U2—O12.354 (14)OW17—O1ii4.09 (2)
U2—O82.359 (14)OW17—OW35ii4.12 (4)
U2—O10ii2.371 (14)OW17—HW3C1.0022
U2—OW172.523 (15)OW17—HW3D1.0076
U2—O153.910 (13)O18—O322.68 (2)
U2—O73.918 (12)O18—O192.693 (19)
U2—O12ii3.922 (15)O18—O272.717 (18)
U2—O94.179 (13)O18—O312.74 (2)
U2—O104.224 (14)O18—O20iv2.743 (19)
U3—O211.764 (16)O18—O262.95 (2)
U3—O261.766 (16)O18—O212.97 (2)
U3—O182.364 (13)O18—O25iv3.009 (18)
U3—O272.364 (13)O18—N1xii3.10 (3)
U3—O20iv2.379 (13)O18—C1xii3.16 (3)
U3—O242.395 (12)O19—O312.67 (2)
U3—O31v2.415 (16)O19—O322.70 (2)
U3—O253.875 (15)O19—OW342.75 (2)
U3—O32v4.099 (17)O19—O222.86 (2)
U3—O304.176 (15)O19—O282.88 (2)
U3—O314.265 (15)O19—O232.97 (2)
U3—O194.299 (14)O19—O273.28 (2)
U4—O221.758 (16)O19—O214.00 (2)
U4—O231.767 (16)O20—U3v2.379 (13)
U4—O192.327 (15)O20—O252.651 (19)
U4—O29vi2.345 (12)O20—O292.665 (18)
U4—O282.347 (14)O20—O242.695 (19)
U4—O30vi2.381 (16)O20—O18v2.743 (19)
U4—OW342.484 (14)O20—O31iii2.79 (2)
U4—O25vi4.154 (14)O20—OW34iii2.923 (18)
U4—O304.257 (15)O20—O21v2.93 (2)
U4—O274.277 (13)O20—O26v2.98 (2)
U4—O314.295 (15)O20—O31v3.818 (19)
Cr1—O141.592 (17)O20—O32iii3.84 (2)
Cr1—O71.628 (15)O21—N32.85 (3)
Cr1—O61.668 (14)O21—O20iv2.93 (2)
Cr1—O21.712 (13)O21—O242.937 (19)
Cr1—O15vii3.526 (13)O21—O273.00 (2)
Cr1—O163.563 (16)O21—O31v3.00 (2)
Cr1—O43.597 (14)O21—C73.06 (3)
Cr1—O10ii3.618 (15)O21—O253.07 (2)
Cr1—O153.658 (14)O21—O32v3.37 (2)
Cr2—O121.612 (15)O21—O263.53 (2)
Cr2—O101.650 (16)O22—O30vi2.87 (2)
Cr2—O11.662 (13)O22—O282.931 (19)
Cr2—O91.666 (13)O22—O29vi2.96 (2)
Cr2—O6i3.315 (14)O22—C5i3.13 (3)
Cr2—OW173.485 (14)O22—C2vi3.13 (3)
Cr2—O2i3.489 (13)O22—OW343.19 (2)
Cr2—O3i3.739 (14)O22—O25vi3.464 (19)
Cr3—O161.588 (19)O22—O233.52 (2)
Cr3—O151.653 (14)O22—O14i3.68 (2)
Cr3—O131.673 (13)O22—O23vi3.91 (2)
Cr3—O81.680 (14)O23—OW342.903 (19)
Cr3—O23.325 (14)O23—O29vi2.910 (19)
Cr3—O7viii3.353 (13)O23—O282.93 (2)
Cr3—OW17i3.525 (15)O23—O30vi3.06 (2)
Cr3—O43.722 (14)O23—O303.55 (2)
Cr4—O331.595 (17)O23—O22ix3.91 (2)
Cr4—O301.622 (18)O23—O274.06 (2)
Cr4—O281.672 (14)O24—O252.65 (2)
Cr4—O271.676 (13)O24—O292.768 (18)
Cr4—OW34ix3.477 (14)O24—O272.877 (19)
Cr4—O243.537 (13)O24—O31v2.88 (2)
Cr4—O233.667 (16)O24—O263.01 (2)
Cr4—O193.711 (15)O24—O303.139 (19)
Cr5—O251.588 (16)O24—O18v3.918 (19)
Cr5—O241.645 (15)O25—O292.668 (19)
Cr5—O201.647 (13)O25—O18v3.009 (18)
Cr5—O291.692 (12)O25—N33.03 (2)
Cr5—O18v3.331 (13)O25—C23.13 (3)
Cr5—O303.373 (16)O25—O32v3.30 (2)
Cr5—OW34iii3.498 (14)O25—Cr6v3.410 (14)
Cr5—O31v3.555 (15)O25—O22ix3.464 (19)
Cr5—O213.610 (14)O25—O31v3.51 (2)
Cr6—O321.615 (16)O26—O272.923 (19)
Cr6—O311.632 (18)O26—O31v2.96 (2)
Cr6—O191.665 (15)O26—O20iv2.98 (2)
Cr6—O181.673 (13)O26—C3xiii3.21 (4)
Cr6—O25iv3.410 (14)O26—C7v3.27 (3)
Cr6—OW343.482 (15)O26—OW34v4.28 (2)
Cr6—O273.654 (13)O27—O332.67 (2)
Cr6—O213.699 (15)O27—O302.71 (2)
O1—O92.665 (18)O27—O282.731 (19)
O1—O122.669 (19)O27—N1xii3.07 (3)
O1—O102.69 (2)O27—C6xii3.11 (4)
O1—OW172.748 (19)O28—O332.64 (2)
O1—O42.769 (18)O28—O302.70 (2)
O1—O82.83 (2)O28—O29vi2.857 (19)
O1—O33.06 (2)O28—N22.93 (4)
O1—OW354.07 (3)O28—OW34ix3.32 (2)
O1—OW17i4.09 (2)O28—OW35iii3.90 (4)
O1—O3i4.349 (18)O29—U4ix2.345 (12)
O2—O142.69 (2)O29—OW34iii2.727 (18)
O2—N42.73 (3)O29—O302.77 (2)
O2—O72.725 (19)O29—O28ix2.857 (19)
O2—O62.745 (19)O29—O23ix2.910 (19)
O2—O10ii2.84 (2)O29—O22ix2.96 (2)
O2—O82.846 (19)O29—O30ix4.154 (19)
O2—O32.890 (19)O30—U4ix2.381 (16)
O2—O42.96 (2)O30—O332.63 (3)
O2—O12ii3.093 (19)O30—OW34ix2.74 (2)
O2—O163.16 (2)O30—O22ix2.87 (2)
O3—O82.84 (2)O30—O23ix3.06 (2)
O3—OW35ii2.89 (3)O31—U3iv2.415 (16)
O3—OW172.96 (2)O31—O322.65 (3)
O3—O10ii3.00 (2)O31—O20xi2.79 (2)
O3—O12ii3.41 (2)O31—O24iv2.88 (2)
O3—O43.49 (2)O31—O26iv2.96 (2)
O3—O103.74 (2)O31—O21iv3.00 (2)
O3—Cr2ii3.739 (14)O31—OW343.07 (2)
O3—O33x3.74 (2)O31—O25iv3.51 (2)
O4—O10ii2.91 (2)O31—Cr5iv3.555 (15)
O4—O83.02 (2)O32—N3iv2.96 (2)
O4—O73.079 (18)O32—O25iv3.30 (2)
O4—OW173.149 (18)O32—O21iv3.37 (2)
O4—C1ii3.20 (3)O32—O16i3.55 (3)
O4—O153.203 (18)O32—O20xi3.84 (2)
O5—O15iii2.87 (2)O32—O11xiv4.08 (2)
O5—N12.88 (3)O32—U3iv4.099 (17)
O5—O13ii2.893 (19)O32—OW344.23 (2)
O5—O7iii2.956 (19)O33—N4xii2.85 (3)
O5—O92.99 (2)O33—N22.93 (4)
O5—O6i3.05 (2)O33—OW35iii3.01 (4)
O5—C13.07 (3)O33—O12iii3.19 (2)
O5—OW35ii3.16 (3)O33—O3xii3.74 (2)
O5—C63.22 (3)O33—OW34ix3.91 (2)
O5—O103.29 (2)O33—O23ix4.08 (2)
O5—O14iii3.33 (2)OW34—O29xi2.727 (18)
O6—U1ii2.344 (14)OW34—O30vi2.74 (2)
O6—O142.66 (2)OW34—O20xi2.923 (18)
O6—O72.72 (2)OW34—O28vi3.32 (2)
O6—O15vii2.80 (2)OW34—Cr4vi3.477 (14)
O6—O9ii2.836 (19)OW34—Cr5xi3.498 (14)
O6—O11ii2.883 (19)OW34—HW3A1.0035
O6—O5ii3.05 (2)OW34—HW3B1.0029
O6—Cr2ii3.315 (14)OW35—N2xi2.67 (5)
O6—O10ii3.38 (2)OW35—O3i2.89 (3)
O6—O12ii3.418 (19)OW35—O33xi3.01 (4)
O7—U1xi2.357 (13)OW35—O5i3.16 (3)
O7—O142.63 (2)OW35—C6i3.19 (4)
O7—O13vii2.672 (18)OW35—O14viii3.47 (3)
O7—O152.821 (18)OW35—O28xi3.90 (4)
O7—O11xi2.94 (2)OW35—HW3E1.0094
O7—O5xi2.956 (19)OW35—HW3F1.0106
O7—O15vii3.200 (18)C1—N11.55 (3)
O7—Cr3vii3.353 (13)C1—O16iii3.09 (3)
O8—O162.66 (2)C1—O11xii3.10 (3)
O8—O132.675 (18)C1—O18x3.16 (3)
O8—O152.75 (2)C1—O4i3.20 (3)
O8—OW17i2.79 (2)C1—H1A1.0038
O8—O103.71 (2)C1—H1B1.0035
O8—OW353.95 (3)C1—H1C0.9984
O9—O122.695 (19)C2—N31.50 (3)
O9—O102.74 (2)C2—O22ix3.13 (3)
O9—O13ii2.782 (19)C2—H2A1.0090
O9—O6i2.836 (19)C2—H2B1.0031
O9—OW172.902 (19)C2—H2C1.0021
O9—O112.959 (19)C3—N2xi1.41 (5)
O10—U2i2.371 (13)C3—O26xv3.21 (4)
O10—O122.67 (2)C3—H3A0.9990
O10—OW17i2.80 (2)C3—H3B1.0019
O10—O2i2.84 (2)C3—H3C0.9958
O10—O4i2.91 (2)C4—N41.55 (3)
O10—O3i3.00 (2)C4—H4A0.9989
O10—O6i3.38 (2)C4—H4B0.9933
O10—Cr1i3.618 (15)C4—H4C0.9995
O11—O6i2.883 (19)C5—N41.46 (4)
O11—O7iii2.94 (2)C5—O22ii3.13 (3)
O11—O13ii2.96 (2)C5—H5A1.0009
O11—N3vi2.99 (3)C5—H5B1.0023
O11—C83.05 (4)C5—H5C0.9983
O11—C1x3.10 (3)C6—N11.52 (4)
O11—O15iii3.11 (2)C6—O27x3.11 (4)
O11—O16ii3.38 (2)C6—OW35ii3.19 (4)
O11—O4iii3.785 (19)C6—H6A1.0032
O12—N4i3.07 (2)C6—H6B0.9963
O12—O2i3.093 (19)C6—H6C1.0007
O12—O33xi3.19 (2)C7—N31.47 (3)
O12—O3i3.41 (2)C7—O26iv3.26 (3)
O12—O6i3.418 (19)C7—H7A0.9984
O12—U2i3.922 (15)C7—H7B1.0002
O12—OW354.06 (3)C7—H7C1.0012
O12—O23vi4.49 (2)C8—N21.65 (6)
O13—U1i2.353 (13)C8—H8A0.9993
O13—O162.65 (2)C8—H8B0.9988
O13—O7viii2.672 (18)C8—H8C1.0004
O13—O152.753 (18)N1—O27x3.07 (3)
O13—O9i2.782 (19)N1—O18x3.10 (3)
O13—O5i2.893 (19)N1—H1D1.0038
O13—OW352.93 (3)N1—H1E1.0083
O13—O11i2.96 (2)N2—C3iii1.41 (5)
O13—OW17i3.069 (19)N2—OW35iii2.67 (5)
O13—O14viii4.12 (2)N2—H2D1.0132
O14—O163.14 (2)N2—H2E1.0119
O14—O5xi3.33 (2)N3—O32v2.96 (2)
O14—OW35vii3.47 (3)N3—O11ix2.99 (3)
O14—O22ii3.68 (2)N3—H3D1.0048
O14—O154.06 (2)N3—H3E1.0032
O14—U1xi4.090 (17)N4—O33x2.85 (3)
O14—O19ii4.10 (2)N4—O12ii3.07 (2)
O14—O13vii4.12 (2)N4—H4D1.0047
O15—U1xi2.378 (13)N4—H4E1.0052
O11—U1—O5177.8 (6)O10ii—OW17—O9147.2 (7)
O11—U1—O6i87.5 (6)U2—OW17—O336.1 (3)
O5—U1—O6i94.2 (6)O1—OW17—O364.6 (5)
O11—U1—O13ii90.2 (6)O8ii—OW17—O3104.9 (7)
O5—U1—O13ii87.6 (6)O10ii—OW17—O362.5 (5)
O6i—U1—O13ii145.4 (5)O9—OW17—O384.7 (6)
O11—U1—O7iii89.4 (6)U2—OW17—O13ii121.8 (6)
O5—U1—O7iii90.0 (6)O1—OW17—O13ii106.7 (6)
O6i—U1—O7iii145.3 (5)O8ii—OW17—O13ii54.1 (5)
O13ii—U1—O7iii69.1 (4)O10ii—OW17—O13ii118.4 (7)
O11—U1—O15iii95.8 (6)O9—OW17—O13ii55.5 (4)
O5—U1—O15iii86.0 (6)O3—OW17—O13ii86.1 (6)
O6i—U1—O15iii72.8 (5)U2—OW17—O433.5 (3)
O13ii—U1—O15iii141.7 (5)O1—OW17—O455.5 (4)
O7iii—U1—O15iii73.1 (4)O8ii—OW17—O4139.4 (6)
O11—U1—O989.1 (6)O10ii—OW17—O458.2 (5)
O5—U1—O990.1 (6)O9—OW17—O4111.7 (6)
O6i—U1—O973.6 (5)O3—OW17—O469.6 (5)
O13ii—U1—O971.8 (4)O13ii—OW17—O4154.2 (7)
O7iii—U1—O9140.9 (4)U2—OW17—Cr275.3 (4)
O15iii—U1—O9145.8 (4)O1—OW17—Cr227.9 (3)
O11—U1—O10124.8 (5)O8ii—OW17—Cr2134.6 (6)
O5—U1—O1055.4 (5)O10ii—OW17—Cr2127.3 (6)
O6i—U1—O1058.4 (4)O9—OW17—Cr228.4 (3)
O13ii—U1—O1096.0 (4)O3—OW17—Cr271.4 (4)
O7iii—U1—O10143.6 (4)O13ii—OW17—Cr280.6 (4)
O15iii—U1—O10110.9 (4)O4—OW17—Cr283.4 (4)
O9—U1—O1043.0 (4)U2—OW17—Cr3ii138.2 (6)
O11—U1—O14iii126.6 (5)O1—OW17—Cr3ii134.4 (6)
O5—U1—O14iii52.8 (5)O8ii—OW17—Cr3ii27.9 (3)
O6i—U1—O14iii132.8 (4)O10ii—OW17—Cr3ii107.2 (5)
O13ii—U1—O14iii73.9 (4)O9—OW17—Cr3ii79.8 (4)
O7iii—U1—O14iii37.2 (4)O3—OW17—Cr3ii103.6 (5)
O15iii—U1—O14iii72.2 (4)O13ii—OW17—Cr3ii28.3 (3)
O9—U1—O14iii129.8 (4)O4—OW17—Cr3ii165.3 (6)
O10—U1—O14iii107.7 (3)Cr2—OW17—Cr3ii107.2 (4)
O11—U1—O16ii53.7 (5)U2—OW17—O1ii86.2 (5)
O5—U1—O16ii124.1 (5)O1—OW17—O1ii136.8 (6)
O6i—U1—O16ii134.0 (4)O8ii—OW17—O1ii43.6 (4)
O13ii—U1—O16ii37.2 (4)O10ii—OW17—O1ii40.9 (4)
O7iii—U1—O16ii66.7 (4)O9—OW17—O1ii133.6 (6)
O15iii—U1—O16ii128.2 (4)O3—OW17—O1ii74.2 (5)
O9—U1—O16ii81.2 (4)O13ii—OW17—O1ii81.9 (5)
O10—U1—O16ii120.8 (3)O4—OW17—O1ii99.1 (5)
O14iii—U1—O16ii92.8 (3)Cr2—OW17—O1ii142.2 (5)
O11—U1—O7i117.0 (5)Cr3ii—OW17—O1ii66.3 (3)
O5—U1—O7i65.1 (5)U2—OW17—OW35ii80.0 (6)
O6i—U1—O7i37.9 (4)O1—OW17—OW35ii96.2 (6)
O13ii—U1—O7i151.2 (4)O8ii—OW17—OW35ii66.6 (6)
O7iii—U1—O7i117.4 (2)O10ii—OW17—OW35ii80.1 (7)
O15iii—U1—O7i50.1 (4)O9—OW17—OW35ii76.4 (6)
O9—U1—O7i97.8 (4)O3—OW17—OW35ii44.4 (5)
O10—U1—O7i61.5 (3)O13ii—OW17—OW35ii45.3 (5)
O14iii—U1—O7i94.9 (3)O4—OW17—OW35ii113.2 (6)
O16ii—U1—O7i170.6 (3)Cr2—OW17—OW35ii84.7 (5)
O11—U1—OW35ii133.2 (6)Cr3ii—OW17—OW35ii59.2 (5)
O5—U1—OW35ii44.6 (6)O1ii—OW17—OW35ii59.5 (5)
O6i—U1—OW35ii131.1 (5)U2—OW17—HW3C109.9
O13ii—U1—OW35ii43.1 (5)O1—OW17—HW3C78.1
O7iii—U1—OW35ii72.5 (5)O8ii—OW17—HW3C83.6
O15iii—U1—OW35ii118.1 (5)O10ii—OW17—HW3C136.6
O9—U1—OW35ii80.4 (5)O9—OW17—HW3C25.8
O10—U1—OW35ii74.3 (5)O3—OW17—HW3C81.6
O14iii—U1—OW35ii49.7 (5)O13ii—OW17—HW3C30.0
O16ii—U1—OW35ii79.5 (5)O4—OW17—HW3C132.2
O7i—U1—OW35ii109.6 (4)Cr2—OW17—HW3C50.9
O4—U2—O3178.7 (7)Cr3ii—OW17—HW3C56.4
O4—U2—O292.2 (6)O1ii—OW17—HW3C108.9
O3—U2—O289.0 (6)OW35ii—OW17—HW3C56.8
O4—U2—O183.7 (6)U2—OW17—HW3D109.7
O3—U2—O195.0 (6)O1—OW17—HW3D81.0
O2—U2—O1147.9 (5)O8ii—OW17—HW3D112.7
O4—U2—O893.9 (6)O10ii—OW17—HW3D115.8
O3—U2—O886.1 (6)O9—OW17—HW3D89.2
O2—U2—O874.8 (5)O3—OW17—HW3D142.0
O1—U2—O873.7 (5)O13ii—OW17—HW3D120.4
O4—U2—O10ii88.8 (6)O4—OW17—HW3D78.1
O3—U2—O10ii91.9 (6)Cr2—OW17—HW3D85.8
O2—U2—O10ii74.5 (5)Cr3ii—OW17—HW3D112.1
O1—U2—O10ii137.0 (5)O1ii—OW17—HW3D131.8
O8—U2—O10ii149.2 (5)OW35ii—OW17—HW3D164.1
O4—U2—OW1793.5 (6)HW3C—OW17—HW3D107.5
O3—U2—OW1785.7 (6)Cr6—O18—U3138.0 (8)
O2—U2—OW17143.6 (5)Cr6—O18—O3234.7 (5)
O1—U2—OW1768.5 (5)U3—O18—O32171.7 (8)
O8—U2—OW17140.4 (5)Cr6—O18—O1936.1 (4)
O10ii—U2—OW1769.8 (5)U3—O18—O19116.3 (6)
O4—U2—O1553.7 (5)O32—O18—O1960.2 (5)
O3—U2—O15126.7 (5)Cr6—O18—O27110.4 (6)
O2—U2—O1564.7 (4)U3—O18—O2754.9 (4)
O1—U2—O1588.0 (4)O32—O18—O27127.2 (6)
O8—U2—O1543.9 (4)O19—O18—O2774.5 (5)
O10ii—U2—O15120.6 (4)Cr6—O18—O3133.5 (5)
OW17—U2—O15142.3 (4)U3—O18—O31113.2 (7)
O4—U2—O749.3 (5)O32—O18—O3158.5 (6)
O3—U2—O7132.0 (6)O19—O18—O3158.9 (5)
O2—U2—O743.0 (4)O27—O18—O31119.0 (7)
O1—U2—O7123.9 (4)Cr6—O18—O20iv120.5 (7)
O8—U2—O780.2 (4)U3—O18—O20iv54.9 (4)
O10ii—U2—O778.4 (4)O32—O18—O20iv122.2 (6)
OW17—U2—O7131.5 (4)O19—O18—O20iv141.1 (8)
O15—U2—O742.3 (3)O27—O18—O20iv109.8 (6)
O4—U2—O12ii120.8 (5)O31—O18—O20iv88.3 (6)
O3—U2—O12ii60.4 (5)Cr6—O18—O26172.2 (7)
O2—U2—O12ii52.0 (4)U3—O18—O2636.8 (4)
O1—U2—O12ii152.1 (4)O32—O18—O26151.0 (8)
O8—U2—O12ii114.0 (4)O19—O18—O26136.5 (6)
O10ii—U2—O12ii41.8 (5)O27—O18—O2662.0 (5)
OW17—U2—O12ii95.0 (4)O31—O18—O26146.7 (7)
O15—U2—O12ii116.6 (3)O20iv—O18—O2663.1 (5)
O7—U2—O12ii83.9 (3)Cr6—O18—O21102.0 (7)
O4—U2—O9108.4 (5)U3—O18—O2136.4 (3)
O3—U2—O970.3 (5)O32—O18—O21135.6 (7)
O2—U2—O9158.7 (4)O19—O18—O2189.6 (6)
O1—U2—O936.1 (4)O27—O18—O2163.4 (5)
O8—U2—O998.0 (4)O31—O18—O2178.4 (6)
O10ii—U2—O9110.2 (4)O20iv—O18—O2161.6 (5)
OW17—U2—O943.0 (4)O26—O18—O2173.3 (5)
O15—U2—O9123.7 (3)Cr6—O18—O25iv88.7 (6)
O7—U2—O9157.0 (3)U3—O18—O25iv108.5 (5)
O12ii—U2—O9117.1 (3)O32—O18—O25iv70.8 (5)
O4—U2—O10116.9 (5)O19—O18—O25iv124.8 (6)
O3—U2—O1062.0 (5)O27—O18—O25iv160.6 (6)
O2—U2—O10127.1 (4)O31—O18—O25iv75.2 (5)
O1—U2—O1035.8 (4)O20iv—O18—O25iv54.6 (4)
O8—U2—O1061.0 (4)O26—O18—O25iv98.7 (5)
O10ii—U2—O10142.4 (2)O21—O18—O25iv110.5 (6)
OW17—U2—O1081.1 (4)Cr6—O18—N1xii99.4 (8)
O15—U2—O1097.0 (3)U3—O18—N1xii104.7 (7)
O7—U2—O10139.0 (3)O32—O18—N1xii82.4 (7)
O12ii—U2—O10122.3 (3)O19—O18—N1xii80.0 (7)
O9—U2—O1038.1 (3)O27—O18—N1xii63.3 (7)
O21—U3—O26179.1 (7)O31—O18—N1xii132.9 (7)
O21—U3—O1890.9 (6)O20iv—O18—N1xii137.6 (7)
O26—U3—O1889.8 (6)O26—O18—N1xii79.2 (7)
O21—U3—O2791.9 (6)O21—O18—N1xii126.6 (7)
O26—U3—O2788.9 (6)O25iv—O18—N1xii118.3 (7)
O18—U3—O2770.1 (4)Cr6—O18—C1xii96.4 (7)
O21—U3—O20iv88.9 (6)U3—O18—C1xii120.8 (6)
O26—U3—O20iv90.8 (6)O32—O18—C1xii67.5 (6)
O18—U3—O20iv70.7 (4)O19—O18—C1xii93.5 (7)
O27—U3—O20iv140.8 (5)O27—O18—C1xii91.2 (6)
O21—U3—O2488.5 (6)O31—O18—C1xii126.0 (7)
O26—U3—O2491.3 (6)O20iv—O18—C1xii124.3 (7)
O18—U3—O24144.5 (4)O26—O18—C1xii86.0 (6)
O27—U3—O2474.4 (4)O21—O18—C1xii152.6 (7)
O20iv—U3—O24144.8 (5)O25iv—O18—C1xii89.9 (6)
O21—U3—O31v90.5 (6)N1xii—O18—C1xii28.7 (6)
O26—U3—O31v88.6 (6)Cr6—O19—U4153.7 (10)
O18—U3—O31v141.9 (5)Cr6—O19—O3135.5 (5)
O27—U3—O31v147.9 (5)U4—O19—O31118.4 (8)
O20iv—U3—O31v71.3 (5)Cr6—O19—O1836.3 (4)
O24—U3—O31v73.7 (5)U4—O19—O18145.1 (7)
O21—U3—O2550.5 (5)O31—O19—O1861.4 (5)
O26—U3—O25129.0 (5)Cr6—O19—O3234.1 (5)
O18—U3—O25138.9 (4)U4—O19—O32153.9 (7)
O27—U3—O2594.8 (4)O31—O19—O3259.2 (6)
O20iv—U3—O25115.1 (4)O18—O19—O3259.6 (5)
O24—U3—O2542.3 (4)Cr6—O19—OW34101.1 (8)
O31v—U3—O2562.9 (4)U4—O19—OW3457.8 (4)
O21—U3—O32v53.7 (5)O31—O19—OW3468.9 (6)
O26—U3—O32v125.4 (5)O18—O19—OW34129.6 (7)
O18—U3—O32v123.3 (4)O32—O19—OW34101.8 (7)
O27—U3—O32v139.9 (4)Cr6—O19—O22155.4 (8)
O20iv—U3—O32v66.6 (4)U4—O19—O2237.9 (4)
O24—U3—O32v83.8 (4)O31—O19—O22137.4 (8)
O31v—U3—O32v38.0 (5)O18—O19—O22161.1 (8)
O25—U3—O32v48.9 (3)O32—O19—O22123.5 (7)
O21—U3—O3068.0 (5)OW34—O19—O2269.3 (5)
O26—U3—O30112.5 (5)Cr6—O19—O28141.4 (8)
O18—U3—O3099.2 (4)U4—O19—O2852.3 (4)
O27—U3—O3037.4 (4)O31—O19—O28143.5 (8)
O20iv—U3—O30154.9 (4)O18—O19—O28105.1 (6)
O24—U3—O3048.2 (4)O32—O19—O28146.6 (8)
O31v—U3—O30116.5 (4)OW34—O19—O28109.7 (7)
O25—U3—O3057.5 (3)O22—O19—O2861.4 (5)
O32v—U3—O30104.0 (3)Cr6—O19—O23121.8 (8)
O21—U3—O3156.8 (5)U4—O19—O2336.4 (4)
O26—U3—O31123.7 (5)O31—O19—O2392.1 (7)
O18—U3—O3136.2 (4)O18—O19—O23111.7 (6)
O27—U3—O3185.3 (4)O32—O19—O23151.1 (8)
O20iv—U3—O3162.8 (4)OW34—O19—O2360.8 (5)
O24—U3—O31139.2 (4)O22—O19—O2374.3 (6)
O31v—U3—O31122.1 (3)O28—O19—O2359.9 (5)
O25—U3—O31107.2 (3)Cr6—O19—O2789.2 (6)
O32v—U3—O3190.2 (3)U4—O19—O2798.1 (5)
O30—U3—O3195.2 (3)O31—O19—O27104.1 (6)
O21—U3—O1968.3 (5)O18—O19—O2753.1 (4)
O26—U3—O19112.6 (5)O32—O19—O27107.7 (6)
O18—U3—O1934.2 (4)OW34—O19—O27139.9 (7)
O27—U3—O1949.0 (4)O22—O19—O27112.9 (6)
O20iv—U3—O1996.0 (4)O28—O19—O2752.2 (4)
O24—U3—O19115.4 (3)O23—O19—O2780.8 (5)
O31v—U3—O19155.9 (5)Cr6—O19—Cr4115.9 (6)
O25—U3—O19107.5 (3)U4—O19—Cr472.9 (4)
O32v—U3—O19118.4 (3)O31—O19—Cr4124.2 (6)
O30—U3—O1967.3 (3)O18—O19—Cr479.9 (4)
O31—U3—O1936.3 (3)O32—O19—Cr4131.7 (6)
O22—U4—O23179.5 (7)OW34—O19—Cr4125.1 (6)
O22—U4—O1987.6 (6)O22—O19—Cr487.1 (5)
O23—U4—O1992.2 (6)O28—O19—Cr425.7 (3)
O22—U4—O29vi91.0 (6)O23—O19—Cr465.5 (4)
O23—U4—O29vi88.9 (6)O27—O19—Cr426.8 (2)
O19—U4—O29vi151.1 (5)Cr6—O19—O2167.6 (5)
O22—U4—O2889.9 (6)U4—O19—O2199.1 (5)
O23—U4—O2889.5 (6)O31—O19—O2161.9 (5)
O19—U4—O2876.1 (5)O18—O19—O2148.0 (4)
O29vi—U4—O2875.0 (5)O32—O19—O21101.1 (6)
O22—U4—O30vi86.4 (7)OW34—O19—O21101.1 (6)
O23—U4—O30vi94.1 (6)O22—O19—O21135.3 (6)
O19—U4—O30vi137.0 (5)O28—O19—O2183.7 (5)
O29vi—U4—O30vi71.6 (5)O23—O19—O2163.8 (4)
O28—U4—O30vi146.4 (5)O27—O19—O2147.4 (4)
O22—U4—OW3496.0 (6)Cr4—O19—O2162.4 (3)
O23—U4—OW3484.4 (6)Cr5—O20—U3v149.1 (8)
O19—U4—OW3469.8 (5)Cr5—O20—O2534.2 (5)
O29vi—U4—OW34139.0 (5)U3v—O20—O25120.9 (6)
O28—U4—OW34145.0 (5)Cr5—O20—O2937.6 (4)
O30vi—U4—OW3468.6 (5)U3v—O20—O29169.1 (7)
O22—U4—O25vi55.2 (5)O25—O20—O2960.3 (5)
O23—U4—O25vi124.9 (5)Cr5—O20—O2435.0 (4)
O19—U4—O25vi137.8 (4)U3v—O20—O24128.5 (6)
O29vi—U4—O25vi36.6 (4)O25—O20—O2459.4 (5)
O28—U4—O25vi84.1 (4)O29—O20—O2462.2 (5)
O30vi—U4—O25vi66.5 (4)Cr5—O20—O18v95.5 (6)
OW34—U4—O25vi127.1 (4)U3v—O20—O18v54.4 (4)
O22—U4—O30124.5 (6)O25—O20—O18v67.8 (5)
O23—U4—O3055.0 (5)O29—O20—O18v128.0 (6)
O19—U4—O3085.7 (4)O24—O20—O18v92.2 (5)
O29vi—U4—O3071.4 (4)Cr5—O20—O31iii154.6 (9)
O28—U4—O3035.1 (4)U3v—O20—O31iii55.0 (4)
O30vi—U4—O30131.4 (3)O25—O20—O31iii165.6 (8)
OW34—U4—O30131.9 (4)O29—O20—O31iii120.8 (6)
O25vi—U4—O3099.1 (3)O24—O20—O31iii134.8 (8)
O22—U4—O27108.6 (5)O18v—O20—O31iii109.3 (6)
O23—U4—O2770.9 (5)Cr5—O20—OW34iii95.9 (6)
O19—U4—O2749.3 (4)U3v—O20—OW34iii113.9 (5)
O29vi—U4—O27104.6 (3)O25—O20—OW34iii110.2 (6)
O28—U4—O2735.5 (4)O29—O20—OW34iii58.2 (5)
O30vi—U4—O27164.7 (5)O24—O20—OW34iii112.1 (6)
OW34—U4—O27111.1 (4)O18v—O20—OW34iii150.9 (7)
O25vi—U4—O27119.6 (3)O31iii—O20—OW34iii64.9 (5)
O30—U4—O2737.0 (3)Cr5—O20—O21v127.9 (7)
O22—U4—O31109.2 (5)U3v—O20—O21v37.0 (4)
O23—U4—O3170.7 (5)O25—O20—O21v123.2 (6)
O19—U4—O3133.2 (5)O29—O20—O21v153.2 (7)
O29vi—U4—O31159.4 (4)O24—O20—O21v95.6 (6)
O28—U4—O31101.0 (4)O18v—O20—O21v63.0 (5)
O30vi—U4—O31111.8 (4)O31iii—O20—O21v63.2 (5)
OW34—U4—O3144.6 (4)OW34iii—O20—O21v126.6 (6)
O25vi—U4—O31163.9 (3)Cr5—O20—O26v140.0 (8)
O30—U4—O3193.6 (3)U3v—O20—O26v36.3 (4)
O27—U4—O3166.5 (3)O25—O20—O26v106.6 (7)
O14—Cr1—O7109.7 (8)O29—O20—O26v133.2 (7)
O14—Cr1—O6109.3 (8)O24—O20—O26v154.0 (7)
O7—Cr1—O6111.1 (7)O18v—O20—O26v61.8 (5)
O14—Cr1—O2108.7 (8)O31iii—O20—O26v61.5 (5)
O7—Cr1—O2109.3 (7)OW34iii—O20—O26v93.0 (5)
O6—Cr1—O2108.6 (7)O21v—O20—O26v73.3 (5)
O14—Cr1—O15vii104.9 (6)Cr5—O20—O31v68.3 (5)
O7—Cr1—O15vii65.1 (5)U3v—O20—O31v83.5 (4)
O6—Cr1—O15vii51.3 (6)O25—O20—O31v62.7 (5)
O2—Cr1—O15vii145.5 (5)O29—O20—O31v105.4 (5)
O14—Cr1—O1661.9 (6)O24—O20—O31v48.9 (4)
O7—Cr1—O1688.2 (5)O18v—O20—O31v45.8 (4)
O6—Cr1—O16160.7 (6)O31iii—O20—O31v126.2 (5)
O2—Cr1—O1662.4 (5)OW34iii—O20—O31v161.0 (6)
O15vii—Cr1—O16145.2 (4)O21v—O20—O31v63.1 (4)
O14—Cr1—O4142.7 (6)O26v—O20—O31v105.8 (5)
O7—Cr1—O458.6 (5)Cr5—O20—O32iii118.2 (7)
O6—Cr1—O4107.8 (6)U3v—O20—O32iii78.7 (4)
O2—Cr1—O454.7 (6)O25—O20—O32iii150.3 (7)
O15vii—Cr1—O4100.8 (3)O29—O20—O32iii105.0 (6)
O16—Cr1—O481.6 (4)O24—O20—O32iii91.1 (6)
O14—Cr1—O10ii151.0 (6)O18v—O20—O32iii120.8 (6)
O7—Cr1—O10ii97.4 (5)O31iii—O20—O32iii43.7 (5)
O6—Cr1—O10ii68.4 (5)OW34iii—O20—O32iii76.2 (5)
O2—Cr1—O10ii50.2 (5)O21v—O20—O32iii57.9 (4)
O15vii—Cr1—O10ii95.7 (3)O26v—O20—O32iii101.9 (5)
O16—Cr1—O10ii110.2 (4)O31v—O20—O32iii101.5 (5)
O4—Cr1—O10ii47.6 (3)U3—O21—N3156.3 (8)
O14—Cr1—O1592.6 (6)U3—O21—O20iv54.2 (5)
O7—Cr1—O1547.3 (5)N3—O21—O20iv118.0 (7)
O6—Cr1—O15154.8 (6)U3—O21—O2454.6 (5)
O2—Cr1—O1574.2 (5)N3—O21—O24113.7 (7)
O15vii—Cr1—O15112.04 (13)O20iv—O21—O24101.6 (6)
O16—Cr1—O1543.1 (4)U3—O21—O1852.7 (5)
O4—Cr1—O1552.4 (3)N3—O21—O18145.9 (7)
O10ii—Cr1—O1598.4 (3)O20iv—O21—O1855.4 (5)
O12—Cr2—O10110.0 (7)O24—O21—O18100.2 (6)
O12—Cr2—O1109.2 (7)U3—O21—O2752.0 (5)
O10—Cr2—O1108.7 (8)N3—O21—O27144.1 (7)
O12—Cr2—O9110.6 (7)O20iv—O21—O2797.8 (6)
O10—Cr2—O9111.7 (7)O24—O21—O2758.0 (5)
O1—Cr2—O9106.4 (6)O18—O21—O2754.2 (5)
O12—Cr2—O6i79.7 (5)U3—O21—O31v53.5 (5)
O10—Cr2—O6i77.9 (6)N3—O21—O31v103.0 (7)
O1—Cr2—O6i165.1 (5)O20iv—O21—O31v56.1 (4)
O9—Cr2—O6i58.8 (5)O24—O21—O31v58.1 (5)
O12—Cr2—OW17128.0 (6)O18—O21—O31v98.2 (6)
O10—Cr2—OW17121.7 (6)O27—O21—O31v99.9 (6)
O1—Cr2—OW1750.6 (5)U3—O21—C7154.2 (9)
O9—Cr2—OW1756.0 (5)N3—O21—C728.5 (6)
O6i—Cr2—OW17114.5 (3)O20iv—O21—C7100.1 (7)
O12—Cr2—O2i62.5 (6)O24—O21—C7142.0 (8)
O10—Cr2—O2i53.8 (6)O18—O21—C7117.8 (7)
O1—Cr2—O2i147.1 (5)O27—O21—C7147.3 (7)
O9—Cr2—O2i106.2 (5)O31v—O21—C7112.9 (7)
O6i—Cr2—O2i47.5 (3)U3—O21—O25103.2 (6)
OW17—Cr2—O2i160.5 (3)N3—O21—O2561.4 (6)
O12—Cr2—O3i65.9 (6)O20iv—O21—O25125.5 (6)
O10—Cr2—O3i51.2 (6)O24—O21—O2552.3 (5)
O1—Cr2—O3i100.1 (5)O18—O21—O25152.4 (7)
O9—Cr2—O3i152.6 (5)O27—O21—O25101.7 (6)
O6i—Cr2—O3i94.4 (3)O31v—O21—O2570.6 (5)
OW17—Cr2—O3i148.9 (3)C7—O21—O2589.8 (7)
O2i—Cr2—O3i47.0 (3)U3—O21—O32v101.4 (6)
O16—Cr3—O15110.1 (8)N3—O21—O32v56.1 (5)
O16—Cr3—O13108.9 (8)O20iv—O21—O32v74.6 (5)
O15—Cr3—O13111.7 (7)O24—O21—O32v91.3 (5)
O16—Cr3—O8109.0 (9)O18—O21—O32v129.9 (6)
O15—Cr3—O8111.2 (7)O27—O21—O32v146.8 (6)
O13—Cr3—O8105.8 (7)O31v—O21—O32v48.7 (5)
O16—Cr3—O270.1 (7)C7—O21—O32v65.2 (6)
O15—Cr3—O285.4 (5)O25—O21—O32v61.6 (5)
O13—Cr3—O2161.2 (5)U3—O21—O260.4 (4)
O8—Cr3—O258.9 (5)N3—O21—O26155.9 (7)
O16—Cr3—O7viii95.6 (7)O20iv—O21—O2654.0 (5)
O15—Cr3—O7viii70.3 (5)O24—O21—O2654.5 (4)
O13—Cr3—O7viii52.0 (5)O18—O21—O2653.0 (4)
O8—Cr3—O7viii152.1 (6)O27—O21—O2652.4 (4)
O2—Cr3—O7viii146.0 (3)O31v—O21—O2653.1 (5)
O16—Cr3—OW17i101.6 (7)C7—O21—O26154.0 (7)
O15—Cr3—OW17i147.8 (6)O25—O21—O26103.0 (5)
O13—Cr3—OW17i60.5 (5)O32v—O21—O26100.9 (5)
O8—Cr3—OW17i50.9 (5)U3—O21—Cr580.2 (5)
O2—Cr3—OW17i100.9 (3)N3—O21—Cr587.1 (5)
O7viii—Cr3—OW17i112.4 (3)O20iv—O21—Cr5118.6 (5)
O16—Cr3—O4117.9 (6)O24—O21—Cr526.7 (3)
O15—Cr3—O459.1 (5)O18—O21—Cr5126.5 (6)
O13—Cr3—O4132.7 (6)O27—O21—Cr578.3 (4)
O8—Cr3—O453.0 (6)O31v—O21—Cr564.3 (4)
O2—Cr3—O449.3 (3)C7—O21—Cr5115.6 (6)
O7viii—Cr3—O4125.8 (3)O25—O21—Cr525.9 (3)
OW17i—Cr3—O4101.5 (3)O32v—O21—Cr577.5 (4)
O33—Cr4—O30109.6 (8)O26—O21—Cr580.0 (4)
O33—Cr4—O28107.8 (8)U4—O22—O1954.5 (5)
O30—Cr4—O28110.0 (8)U4—O22—O30vi55.9 (5)
O33—Cr4—O27109.6 (8)O19—O22—O30vi99.8 (7)
O30—Cr4—O27110.4 (8)U4—O22—O2853.2 (5)
O28—Cr4—O27109.3 (7)O19—O22—O2859.7 (5)
O33—Cr4—OW34ix93.6 (6)O30vi—O22—O28102.5 (7)
O30—Cr4—OW34ix50.3 (6)U4—O22—O29vi52.5 (5)
O28—Cr4—OW34ix70.7 (5)O19—O22—O29vi102.2 (6)
O27—Cr4—OW34ix154.9 (6)O30vi—O22—O29vi56.7 (5)
O33—Cr4—O24104.0 (6)O28—O22—O29vi58.1 (5)
O30—Cr4—O2462.5 (6)U4—O22—C5i122.4 (9)
O28—Cr4—O24147.7 (6)O19—O22—C5i79.1 (7)
O27—Cr4—O2453.6 (5)O30vi—O22—C5i110.4 (8)
OW34ix—Cr4—O24112.6 (3)O28—O22—C5i130.8 (8)
O33—Cr4—O23155.7 (6)O29vi—O22—C5i167.1 (9)
O30—Cr4—O2373.1 (6)U4—O22—C2vi150.1 (9)
O28—Cr4—O2351.2 (6)O19—O22—C2vi153.8 (8)
O27—Cr4—O2390.9 (5)O30vi—O22—C2vi97.0 (7)
OW34ix—Cr4—O2369.2 (3)O28—O22—C2vi135.0 (8)
O24—Cr4—O2398.5 (3)O29vi—O22—C2vi103.8 (7)
O33—Cr4—O19131.6 (7)C5i—O22—C2vi76.2 (8)
O30—Cr4—O19117.9 (6)U4—O22—OW3450.8 (5)
O28—Cr4—O1948.3 (5)O19—O22—OW3453.9 (5)
O27—Cr4—O1961.9 (5)O30vi—O22—OW3453.5 (5)
OW34ix—Cr4—O19109.6 (3)O28—O22—OW3497.6 (6)
O24—Cr4—O19105.0 (3)O29vi—O22—OW3494.7 (6)
O23—Cr4—O1947.5 (3)C5i—O22—OW3475.6 (7)
O25—Cr5—O24110.0 (7)C2vi—O22—OW34126.2 (7)
O25—Cr5—O20110.1 (8)U4—O22—O25vi100.2 (6)
O24—Cr5—O20109.9 (7)O19—O22—O25vi148.3 (6)
O25—Cr5—O29108.8 (7)O30vi—O22—O25vi74.9 (5)
O24—Cr5—O29112.1 (7)O28—O22—O25vi90.4 (5)
O20—Cr5—O29105.9 (6)O29vi—O22—O25vi48.3 (4)
O25—Cr5—O18v64.4 (5)C5i—O22—O25vi132.4 (8)
O24—Cr5—O18v98.1 (5)C2vi—O22—O25vi56.3 (6)
O20—Cr5—O18v55.0 (5)OW34—O22—O25vi128.3 (6)
O29—Cr5—O18v149.1 (5)U4—O22—O230.3 (4)
O25—Cr5—O3096.2 (6)O19—O22—O2354.4 (5)
O24—Cr5—O3067.6 (5)O30vi—O22—O2356.1 (5)
O20—Cr5—O30152.1 (6)O28—O22—O2352.9 (5)
O29—Cr5—O3054.7 (5)O29vi—O22—O2352.5 (4)
O18v—Cr5—O30151.3 (3)C5i—O22—O23122.5 (8)
O25—Cr5—OW34iii123.7 (6)C2vi—O22—O23150.2 (8)
O24—Cr5—OW34iii126.2 (6)OW34—O22—O2350.9 (4)
O20—Cr5—OW34iii56.2 (5)O25vi—O22—O23100.3 (5)
O29—Cr5—OW34iii49.7 (5)U4—O22—O14i125.4 (7)
O18v—Cr5—OW34iii106.8 (3)O19—O22—O14i76.4 (5)
O30—Cr5—OW34iii101.6 (3)O30vi—O22—O14i170.0 (6)
O25—Cr5—O31v75.5 (6)O28—O22—O14i83.6 (5)
O24—Cr5—O31v53.0 (5)O29vi—O22—O14i132.9 (6)
O20—Cr5—O31v86.2 (5)C5i—O22—O14i60.0 (7)
O29—Cr5—O31v164.1 (6)C2vi—O22—O14i83.6 (7)
O18v—Cr5—O31v46.7 (4)OW34—O22—O14i118.4 (5)
O30—Cr5—O31v110.1 (4)O25vi—O22—O14i113.2 (6)
OW34iii—Cr5—O31v141.1 (3)O23—O22—O14i125.1 (5)
O25—Cr5—O2157.7 (6)U4—O22—O23vi109.8 (7)
O24—Cr5—O2153.2 (5)O19—O22—O23vi115.2 (6)
O20—Cr5—O21135.1 (5)O30vi—O22—O23vi61.0 (5)
O29—Cr5—O21119.0 (5)O28—O22—O23vi162.7 (7)
O18v—Cr5—O2184.1 (3)O29vi—O22—O23vi110.7 (6)
O30—Cr5—O2167.3 (3)C5i—O22—O23vi58.1 (6)
OW34iii—Cr5—O21168.6 (3)C2vi—O22—O23vi57.3 (6)
O31v—Cr5—O2149.6 (3)OW34—O22—O23vi68.9 (4)
O32—Cr6—O31109.4 (8)O25vi—O22—O23vi89.9 (4)
O32—Cr6—O19110.5 (8)O23—O22—O23vi110.1 (5)
O31—Cr6—O19108.2 (8)O14i—O22—O23vi112.0 (5)
O32—Cr6—O18109.2 (7)U4—O23—OW3458.4 (5)
O31—Cr6—O18111.9 (7)U4—O23—O29vi53.7 (4)
O19—Cr6—O18107.6 (7)OW34—O23—O29vi102.2 (6)
O32—Cr6—O25iv72.5 (6)U4—O23—O2853.3 (5)
O31—Cr6—O25iv79.9 (6)OW34—O23—O28104.5 (7)
O19—Cr6—O25iv169.1 (6)O29vi—O23—O2858.6 (5)
O18—Cr6—O25iv61.9 (5)U4—O23—O1951.4 (5)
O32—Cr6—OW34106.4 (6)OW34—O23—O1955.9 (5)
O31—Cr6—OW3461.9 (6)O29vi—O23—O19100.5 (6)
O19—Cr6—OW3450.9 (6)O28—O23—O1958.5 (5)
O18—Cr6—OW34143.6 (5)U4—O23—O30vi50.8 (5)
O25iv—Cr6—OW34139.3 (4)OW34—O23—O30vi54.6 (5)
O32—Cr6—O27128.9 (7)O29vi—O23—O30vi55.1 (5)
O31—Cr6—O27120.7 (6)O28—O23—O30vi98.1 (6)
O19—Cr6—O2763.7 (6)O19—O23—O30vi93.0 (6)
O18—Cr6—O2744.2 (5)U4—O23—O220.3 (4)
O25iv—Cr6—O27106.0 (3)OW34—O23—O2258.5 (5)
OW34—Cr6—O27105.1 (3)O29vi—O23—O2253.7 (4)
O32—Cr6—O21158.1 (6)O28—O23—O2253.1 (4)
O31—Cr6—O2174.2 (6)O19—O23—O2251.3 (4)
O19—Cr6—O2187.8 (6)O30vi—O23—O2251.1 (5)
O18—Cr6—O2151.8 (6)U4—O23—O30100.9 (7)
O25iv—Cr6—O2187.4 (3)OW34—O23—O30147.3 (7)
OW34—Cr6—O2194.4 (3)O29vi—O23—O3079.3 (5)
O27—Cr6—O2148.1 (3)O28—O23—O3048.0 (4)
Cr2—O1—U2137.1 (8)O19—O23—O3091.6 (6)
Cr2—O1—O936.9 (4)O30vi—O23—O30134.2 (5)
U2—O1—O9112.6 (6)O22—O23—O30100.7 (5)
Cr2—O1—O1234.8 (4)U4—O23—Cr479.0 (6)
U2—O1—O12171.8 (7)OW34—O23—Cr4121.8 (6)
O9—O1—O1260.7 (5)O29vi—O23—Cr477.1 (4)
Cr2—O1—O1035.5 (5)O28—O23—Cr426.5 (3)
U2—O1—O10113.5 (7)O19—O23—Cr467.0 (4)
O9—O1—O1061.6 (5)O30vi—O23—Cr4124.1 (6)
O12—O1—O1059.8 (5)O22—O23—Cr478.8 (4)
Cr2—O1—OW17101.6 (6)O30—O23—Cr425.9 (3)
U2—O1—OW1758.7 (4)U4—O23—O21120.9 (7)
O9—O1—OW1764.8 (5)OW34—O23—O21103.3 (5)
O12—O1—OW17118.4 (6)O29vi—O23—O21141.4 (6)
O10—O1—OW17114.3 (6)O28—O23—O2187.0 (5)
Cr2—O1—O4171.2 (8)O19—O23—O2171.3 (5)
U2—O1—O438.6 (4)O30vi—O23—O21157.9 (6)
O9—O1—O4134.3 (6)O22—O23—O21120.7 (6)
O12—O1—O4149.3 (7)O30—O23—O2163.7 (4)
O10—O1—O4147.6 (8)Cr4—O23—O2164.9 (3)
OW17—O1—O469.6 (5)U4—O23—O22ix133.6 (7)
Cr2—O1—O8119.7 (7)OW34—O23—O22ix166.4 (7)
U2—O1—O853.2 (4)O29vi—O23—O22ix85.0 (5)
O9—O1—O8135.2 (7)O28—O23—O22ix89.2 (5)
O12—O1—O8127.3 (6)O19—O23—O22ix134.8 (6)
O10—O1—O884.4 (6)O30vi—O23—O22ix124.6 (6)
OW17—O1—O8110.9 (7)O22—O23—O22ix133.4 (5)
O4—O1—O865.4 (5)O30—O23—O22ix44.9 (4)
Cr2—O1—O3102.7 (7)Cr4—O23—O22ix70.8 (4)
U2—O1—O334.8 (3)O21—O23—O22ix76.7 (4)
O9—O1—O387.1 (6)U4—O23—O2784.8 (6)
O12—O1—O3137.2 (7)OW34—O23—O27107.9 (5)
O10—O1—O380.8 (6)O29vi—O23—O2799.6 (5)
OW17—O1—O361.1 (5)O28—O23—O2742.3 (4)
O4—O1—O373.5 (5)O19—O23—O2752.8 (4)
O8—O1—O357.6 (5)O30vi—O23—O27135.6 (7)
Cr2—O1—OW3593.2 (6)O22—O23—O2784.6 (5)
U2—O1—OW35114.4 (6)O30—O23—O2741.0 (4)
O9—O1—OW35129.0 (7)Cr4—O23—O2724.4 (2)
O12—O1—OW3570.6 (6)O21—O23—O2744.8 (3)
O10—O1—OW3582.2 (6)O22ix—O23—O2781.9 (4)
OW17—O1—OW35163.4 (7)Cr5—O24—U3134.4 (8)
O4—O1—OW3595.6 (6)Cr5—O24—O2534.3 (4)
O8—O1—OW3567.1 (6)U3—O24—O25100.3 (6)
O3—O1—OW35123.2 (7)Cr5—O24—O2035.1 (4)
Cr2—O1—OW17i77.2 (5)U3—O24—O20139.0 (6)
U2—O1—OW17i88.1 (5)O25—O24—O2059.5 (5)
O9—O1—OW17i103.0 (5)Cr5—O24—O2934.5 (4)
O12—O1—OW17i89.0 (5)U3—O24—O29144.7 (6)
O10—O1—OW17i42.9 (4)O25—O24—O2959.0 (5)
OW17—O1—OW17i130.1 (5)O20—O24—O2958.4 (5)
O4—O1—OW17i108.3 (5)Cr5—O24—O27134.4 (7)
O8—O1—OW17i42.9 (4)U3—O24—O2752.3 (4)
O3—O1—OW17i70.4 (4)O25—O24—O27116.7 (6)
OW35—O1—OW17i60.6 (5)O20—O24—O27166.8 (6)
Cr2—O1—O3i57.8 (4)O29—O24—O27108.5 (5)
U2—O1—O3i127.5 (5)Cr5—O24—O31v99.8 (7)
O9—O1—O3i94.4 (5)U3—O24—O31v53.5 (4)
O12—O1—O3i51.7 (4)O25—O24—O31v78.7 (6)
O10—O1—O3i42.8 (4)O20—O24—O31v86.3 (6)
OW17—O1—O3i156.7 (6)O29—O24—O31v134.1 (7)
O4—O1—O3i130.8 (5)O27—O24—O31v105.7 (6)
O8—O1—O3i75.6 (4)Cr5—O24—O21100.1 (7)
O3—O1—O3i109.8 (4)U3—O24—O2136.9 (4)
OW35—O1—O3i39.9 (5)O25—O24—O2166.5 (5)
OW17i—O1—O3i41.0 (3)O20—O24—O21121.5 (7)
Cr1—O2—U2132.0 (8)O29—O24—O21109.9 (6)
Cr1—O2—O1434.2 (5)O27—O24—O2162.0 (5)
U2—O2—O14157.1 (8)O31v—O24—O2162.1 (5)
Cr1—O2—N4116.4 (9)Cr5—O24—O26160.0 (8)
U2—O2—N4111.3 (7)U3—O24—O2635.9 (4)
O14—O2—N487.4 (7)O25—O24—O26132.1 (6)
Cr1—O2—O734.3 (4)O20—O24—O26133.2 (6)
U2—O2—O7101.4 (6)O29—O24—O26165.5 (7)
O14—O2—O758.2 (5)O27—O24—O2659.5 (5)
N4—O2—O7145.3 (8)O31v—O24—O2660.2 (5)
Cr1—O2—O635.1 (4)O21—O24—O2672.8 (5)
U2—O2—O6122.9 (7)Cr5—O24—O3083.4 (6)
O14—O2—O658.6 (5)U3—O24—O3097.1 (5)
N4—O2—O6108.1 (7)O25—O24—O3083.7 (6)
O7—O2—O659.6 (5)O20—O24—O30113.7 (6)
Cr1—O2—O10ii102.3 (7)O29—O24—O3055.4 (5)
U2—O2—O10ii53.5 (4)O27—O24—O3053.3 (5)
O14—O2—O10ii132.9 (7)O31v—O24—O30141.2 (6)
N4—O2—O10ii111.9 (7)O21—O24—O3079.2 (5)
O7—O2—O10ii96.4 (6)O26—O24—O30112.7 (6)
O6—O2—O10ii74.4 (5)Cr5—O24—Cr4110.7 (5)
Cr1—O2—O8127.0 (7)U3—O24—Cr478.5 (3)
U2—O2—O853.1 (4)O25—O24—Cr4106.5 (5)
O14—O2—O8115.4 (6)O20—O24—Cr4138.8 (5)
N4—O2—O892.5 (7)O29—O24—Cr481.0 (4)
O7—O2—O898.3 (6)O27—O24—Cr428.0 (3)
O6—O2—O8157.5 (7)O31v—O24—Cr4131.4 (5)
O10ii—O2—O8106.6 (6)O21—O24—Cr475.7 (4)
Cr1—O2—O3164.9 (8)O26—O24—Cr486.1 (4)
U2—O2—O337.3 (4)O30—O24—Cr427.3 (3)
O14—O2—O3160.4 (8)Cr5—O24—O18v57.3 (5)
N4—O2—O374.5 (6)U3—O24—O18v94.8 (4)
O7—O2—O3138.7 (8)O25—O24—O18v50.1 (4)
O6—O2—O3133.9 (6)O20—O24—O18v44.4 (4)
O10ii—O2—O363.0 (5)O29—O24—O18v91.6 (5)
O8—O2—O359.4 (5)O27—O24—O18v144.8 (5)
Cr1—O2—O497.1 (7)O31v—O24—O18v44.3 (4)
U2—O2—O436.0 (3)O21—O24—O18v84.2 (5)
O14—O2—O4122.8 (7)O26—O24—O18v102.8 (5)
N4—O2—O4146.4 (7)O30—O24—O18v133.7 (6)
O7—O2—O465.4 (5)Cr4—O24—O18v154.6 (5)
O6—O2—O4100.9 (6)Cr5—O25—O2435.7 (5)
O10ii—O2—O460.2 (5)Cr5—O25—O2035.7 (5)
O8—O2—O462.7 (5)O24—O25—O2061.1 (5)
O3—O2—O473.3 (5)Cr5—O25—O2936.9 (4)
Cr1—O2—O12ii105.1 (6)O24—O25—O2962.7 (5)
U2—O2—O12ii91.6 (5)O20—O25—O2960.1 (5)
O14—O2—O12ii109.2 (6)Cr5—O25—O18v87.1 (6)
N4—O2—O12ii63.3 (6)O24—O25—O18v87.4 (6)
O7—O2—O12ii128.4 (6)O20—O25—O18v57.6 (5)
O6—O2—O12ii71.4 (5)O29—O25—O18v117.7 (6)
O10ii—O2—O12ii53.3 (5)Cr5—O25—N3151.0 (9)
O8—O2—O12ii127.8 (6)O24—O25—N3117.0 (7)
O3—O2—O12ii69.5 (5)O20—O25—N3160.7 (7)
O4—O2—O12ii112.7 (6)O29—O25—N3138.0 (7)
Cr1—O2—O1688.9 (6)O18v—O25—N3103.9 (6)
U2—O2—O16104.9 (6)Cr5—O25—O2196.4 (7)
O14—O2—O1664.5 (5)O24—O25—O2161.3 (5)
N4—O2—O1679.0 (6)O20—O25—O21118.3 (7)
O7—O2—O1681.9 (5)O29—O25—O21108.8 (6)
O6—O2—O16122.0 (6)O18v—O25—O2199.9 (5)
O10ii—O2—O16157.8 (7)N3—O25—O2155.7 (5)
O8—O2—O1652.3 (5)Cr5—O25—C2139.0 (9)
O3—O2—O16104.0 (6)O24—O25—C2118.9 (8)
O4—O2—O1699.7 (6)O20—O25—C2171.1 (8)
O12ii—O2—O16142.3 (7)O29—O25—C2111.4 (7)
U2—O3—O855.9 (5)O18v—O25—C2130.8 (7)
U2—O3—OW35ii145.7 (9)N3—O25—C228.2 (5)
O8—O3—OW35ii155.4 (8)O21—O25—C265.9 (6)
U2—O3—O253.7 (5)Cr5—O25—O32v122.8 (7)
O8—O3—O259.5 (5)O24—O25—O32v98.2 (6)
OW35ii—O3—O2137.0 (9)O20—O25—O32v105.2 (6)
U2—O3—OW1758.1 (5)O29—O25—O32v159.5 (7)
O8—O3—OW17104.6 (7)O18v—O25—O32v50.0 (4)
OW35ii—O3—OW1789.6 (8)N3—O25—O32v55.6 (5)
O2—O3—OW17103.9 (6)O21—O25—O32v63.7 (5)
U2—O3—O10ii52.3 (5)C2—O25—O32v83.7 (6)
O8—O3—O10ii102.7 (6)Cr5—O25—Cr6v96.4 (6)
OW35ii—O3—O10ii101.9 (7)O24—O25—Cr6v79.3 (5)
O2—O3—O10ii57.8 (5)O20—O25—Cr6v78.3 (4)
OW17—O3—O10ii56.1 (5)O29—O25—Cr6v133.1 (6)
U2—O3—O150.1 (5)O18v—O25—Cr6v29.4 (3)
O8—O3—O157.2 (5)N3—O25—Cr6v82.5 (5)
OW35ii—O3—O1121.9 (8)O21—O25—Cr6v71.2 (4)
O2—O3—O198.3 (6)C2—O25—Cr6v110.6 (6)
OW17—O3—O154.3 (5)O32v—O25—Cr6v27.8 (3)
O10ii—O3—O193.2 (6)Cr5—O25—O22ix90.4 (6)
U2—O3—O12ii93.2 (6)O24—O25—O22ix98.4 (6)
O8—O3—O12ii116.8 (6)O20—O25—O22ix114.7 (6)
OW35ii—O3—O12ii79.8 (7)O29—O25—O22ix55.8 (4)
O2—O3—O12ii58.1 (4)O18v—O25—O22ix166.3 (6)
OW17—O3—O12ii98.7 (5)N3—O25—O22ix84.6 (5)
O10ii—O3—O12ii48.8 (5)O21—O25—O22ix93.7 (5)
O1—O3—O12ii141.2 (6)C2—O25—O22ix56.5 (6)
U2—O3—O40.7 (3)O32v—O25—O22ix140.1 (6)
O8—O3—O455.9 (5)Cr6v—O25—O22ix164.0 (5)
OW35ii—O3—O4145.5 (8)Cr5—O25—O31v78.6 (6)
O2—O3—O454.3 (4)O24—O25—O31v53.6 (5)
OW17—O3—O457.7 (4)O20—O25—O31v75.1 (5)
O10ii—O3—O452.6 (4)O29—O25—O31v114.0 (6)
O1—O3—O449.5 (4)O18v—O25—O31v48.9 (4)
O12ii—O3—O493.7 (5)N3—O25—O31v88.6 (5)
U2—O3—O1093.5 (6)O21—O25—O31v53.8 (4)
O8—O3—O1067.0 (5)C2—O25—O31v112.5 (6)
OW35ii—O3—O1094.9 (7)O32v—O25—O31v45.6 (4)
O2—O3—O10126.4 (6)Cr6v—O25—O31v27.2 (3)
OW17—O3—O1085.2 (5)O22ix—O25—O31v143.4 (6)
O10ii—O3—O10137.1 (5)U3—O26—O2754.0 (5)
O1—O3—O1045.3 (4)U3—O26—O1853.4 (5)
O12ii—O3—O10173.3 (6)O27—O26—O1855.2 (4)
O4—O3—O1093.0 (5)U3—O26—O31v54.8 (5)
U2—O3—Cr2ii76.3 (5)O27—O26—O31v102.7 (6)
O8—O3—Cr2ii118.9 (5)O18—O26—O31v99.9 (6)
OW35ii—O3—Cr2ii84.1 (7)U3—O26—O20iv52.9 (5)
O2—O3—Cr2ii62.0 (4)O27—O26—O20iv98.4 (6)
OW17—O3—Cr2ii73.5 (4)O18—O26—O20iv55.1 (5)
O10ii—O3—Cr2ii25.4 (3)O31v—O26—O20iv56.1 (5)
O1—O3—Cr2ii118.2 (5)U3—O26—O2452.7 (5)
O12ii—O3—Cr2ii25.5 (3)O27—O26—O2458.0 (4)
O4—O3—Cr2ii76.7 (3)O18—O26—O2499.1 (6)
O10—O3—Cr2ii158.7 (5)O31v—O26—O2457.8 (5)
U2—O3—O33x142.9 (7)O20iv—O26—O2498.9 (6)
O8—O3—O33x121.9 (6)U3—O26—C3xiii125.8 (10)
OW35ii—O3—O33x52.1 (7)O27—O26—C3xiii147.7 (9)
O2—O3—O33x91.8 (6)O18—O26—C3xiii97.0 (8)
OW17—O3—O33x132.3 (6)O31v—O26—C3xiii97.8 (9)
O10ii—O3—O33x100.3 (6)O20iv—O26—C3xiii72.9 (8)
O1—O3—O33x166.1 (6)O24—O26—C3xiii152.7 (9)
O12ii—O3—O33x52.7 (4)U3—O26—C7v123.7 (8)
O4—O3—O33x143.5 (5)O27—O26—C7v124.5 (7)
O10—O3—O33x120.7 (5)O18—O26—C7v176.9 (8)
Cr2ii—O3—O33x75.1 (4)O31v—O26—C7v77.1 (7)
U2—O4—O157.7 (5)O20iv—O26—C7v122.8 (7)
U2—O4—O10ii54.5 (5)O24—O26—C7v78.7 (6)
O1—O4—O10ii101.4 (6)C3xiii—O26—C7v84.2 (9)
U2—O4—O251.8 (5)U3—O26—O210.4 (4)
O1—O4—O2103.4 (6)O27—O26—O2154.4 (5)
O10ii—O4—O257.9 (5)O18—O26—O2153.7 (4)
U2—O4—O851.1 (4)O31v—O26—O2154.3 (5)
O1—O4—O858.2 (5)O20iv—O26—O2152.7 (4)
O10ii—O4—O8100.4 (6)O24—O26—O2152.6 (4)
O2—O4—O856.8 (5)C3xiii—O26—O21125.6 (9)
U2—O4—O7105.4 (7)C7v—O26—O21123.3 (7)
O1—O4—O7145.4 (6)U3—O26—OW34v83.8 (6)
O10ii—O4—O787.7 (5)O27—O26—OW34v137.4 (6)
O2—O4—O753.6 (4)O18—O26—OW34v96.9 (5)
O8—O4—O787.4 (5)O31v—O26—OW34v45.8 (4)
U2—O4—OW1753.1 (4)O20iv—O26—OW34v43.0 (4)
O1—O4—OW1754.9 (4)O24—O26—OW34v103.5 (5)
O10ii—O4—OW1754.9 (5)C3xiii—O26—OW34v52.6 (8)
O2—O4—OW1797.9 (5)C7v—O26—OW34v81.5 (6)
O8—O4—OW1796.1 (5)O21—O26—OW34v83.5 (5)
O7—O4—OW17142.6 (6)Cr4—O27—U3144.7 (8)
U2—O4—C1ii148.6 (7)Cr4—O27—O3334.2 (5)
O1—O4—C1ii136.9 (7)U3—O27—O33150.4 (6)
O10ii—O4—C1ii94.4 (6)Cr4—O27—O3034.2 (5)
O2—O4—C1ii118.8 (6)U3—O27—O30110.6 (6)
O8—O4—C1ii155.9 (7)O33—O27—O3058.5 (6)
O7—O4—C1ii74.2 (6)Cr4—O27—O18143.6 (7)
OW17—O4—C1ii107.9 (6)U3—O27—O1854.9 (4)
U2—O4—O15100.4 (6)O33—O27—O18151.4 (7)
O1—O4—O1597.3 (5)O30—O27—O18141.1 (8)
O10ii—O4—O15128.5 (6)Cr4—O27—O2835.3 (4)
O2—O4—O1571.2 (5)U3—O27—O28144.0 (7)
O8—O4—O1552.3 (4)O33—O27—O2858.5 (5)
O7—O4—O1553.3 (4)O30—O27—O2859.5 (5)
OW17—O4—O15147.9 (6)O18—O27—O28108.7 (6)
C1ii—O4—O15103.6 (6)Cr4—O27—O2498.5 (6)
U2—O4—O30.7 (3)U3—O27—O2453.3 (4)
O1—O4—O357.0 (5)O33—O27—O2498.8 (6)
O10ii—O4—O354.9 (4)O30—O27—O2468.3 (5)
O2—O4—O352.4 (4)O18—O27—O24108.2 (6)
O8—O4—O351.1 (4)O28—O27—O24127.5 (6)
O7—O4—O3106.0 (6)Cr4—O27—O26153.5 (7)
OW17—O4—O352.7 (4)U3—O27—O2637.2 (4)
C1ii—O4—O3148.9 (6)O33—O27—O26125.8 (7)
O15—O4—O3100.6 (5)O30—O27—O26130.7 (7)
U2—O4—Cr179.5 (5)O18—O27—O2662.8 (5)
O1—O4—Cr1130.4 (6)O28—O27—O26169.7 (7)
O10ii—O4—Cr166.6 (4)O24—O27—O2662.5 (5)
O2—O4—Cr128.2 (3)Cr4—O27—O21114.8 (8)
O8—O4—Cr176.2 (4)U3—O27—O2136.0 (4)
O7—O4—Cr126.8 (3)O33—O27—O21143.7 (7)
OW17—O4—Cr1118.5 (5)O30—O27—O2185.4 (6)
C1ii—O4—Cr192.7 (5)O18—O27—O2162.4 (5)
O15—O4—Cr164.8 (3)O28—O27—O21108.9 (6)
O3—O4—Cr180.2 (4)O24—O27—O2160.0 (5)
U2—O4—Cr374.7 (4)O26—O27—O2173.2 (5)
O1—O4—Cr379.0 (4)Cr4—O27—N1xii109.7 (8)
O10ii—O4—Cr3114.3 (5)U3—O27—N1xii105.6 (6)
O2—O4—Cr358.4 (4)O33—O27—N1xii89.1 (7)
O8—O4—Cr326.3 (3)O30—O27—N1xii143.8 (8)
O7—O4—Cr366.9 (3)O18—O27—N1xii64.4 (7)
OW17—O4—Cr3122.5 (5)O28—O27—N1xii91.0 (7)
C1ii—O4—Cr3129.6 (5)O24—O27—N1xii138.7 (7)
O15—O4—Cr326.3 (3)O26—O27—N1xii80.0 (7)
O3—O4—Cr374.8 (4)O21—O27—N1xii126.7 (7)
Cr1—O4—Cr365.6 (2)Cr4—O27—C6xii108.7 (8)
U1—O5—O15iii55.7 (5)U3—O27—C6xii103.0 (7)
U1—O5—N1170.5 (9)O33—O27—C6xii77.7 (7)
O15iii—O5—N1121.0 (8)O30—O27—C6xii135.3 (8)
U1—O5—O13ii54.3 (5)O18—O27—C6xii82.7 (7)
O15iii—O5—O13ii101.6 (6)O28—O27—C6xii106.3 (8)
N1—O5—O13ii121.9 (8)O24—O27—C6xii114.2 (7)
U1—O5—O7iii52.9 (5)O26—O27—C6xii67.8 (7)
O15iii—O5—O7iii57.9 (4)O21—O27—C6xii136.5 (7)
N1—O5—O7iii117.6 (8)N1xii—O27—C6xii28.5 (7)
O13ii—O5—O7iii54.4 (4)Cr4—O27—O1991.2 (6)
U1—O5—O953.2 (5)U3—O27—O1998.0 (5)
O15iii—O5—O9102.1 (6)O33—O27—O19111.1 (6)
N1—O5—O9134.1 (8)O30—O27—O19103.0 (6)
O13ii—O5—O956.5 (5)O18—O27—O1952.4 (4)
O7iii—O5—O997.7 (6)O28—O27—O1956.5 (4)
U1—O5—O6i50.1 (5)O24—O27—O19138.2 (7)
O15iii—O5—O6i56.4 (5)O26—O27—O19115.2 (5)
N1—O5—O6i137.4 (7)O21—O27—O1979.0 (5)
O13ii—O5—O6i97.9 (6)N1xii—O27—O1972.1 (6)
O7iii—O5—O6i96.7 (6)C6xii—O27—O19100.5 (7)
O9—O5—O6i56.0 (5)Cr4—O28—U4137.7 (8)
U1—O5—C1151.0 (8)Cr4—O28—O3335.1 (5)
O15iii—O5—C196.1 (6)U4—O28—O33172.7 (8)
N1—O5—C130.0 (7)Cr4—O28—O3034.4 (5)
O13ii—O5—C1150.9 (8)U4—O28—O30114.9 (7)
O7iii—O5—C1121.0 (7)O33—O28—O3059.0 (6)
O9—O5—C1141.1 (7)Cr4—O28—O2735.4 (4)
O6i—O5—C1111.1 (6)U4—O28—O27114.5 (6)
U1—O5—OW35ii112.0 (8)O33—O28—O2759.7 (5)
O15iii—O5—OW35ii141.2 (8)O30—O28—O2759.8 (5)
N1—O5—OW35ii64.4 (8)Cr4—O28—O29vi130.3 (8)
O13ii—O5—OW35ii57.8 (7)U4—O28—O29vi52.5 (4)
O7iii—O5—OW35ii84.9 (7)O33—O28—O29vi129.7 (7)
O9—O5—OW35ii92.7 (7)O30—O28—O29vi96.7 (6)
O6i—O5—OW35ii148.7 (8)O27—O28—O29vi147.9 (7)
C1—O5—OW35ii94.2 (8)Cr4—O28—O19106.1 (7)
U1—O5—C6158.8 (9)U4—O28—O1951.6 (4)
O15iii—O5—C6143.5 (8)O33—O28—O19125.8 (7)
N1—O5—C628.1 (8)O30—O28—O19114.5 (7)
O13ii—O5—C6113.1 (7)O27—O28—O1971.3 (5)
O7iii—O5—C6137.8 (8)O29vi—O28—O19104.1 (6)
O9—O5—C6106.1 (7)Cr4—O28—O23102.3 (7)
O6i—O5—C6125.5 (7)U4—O28—O2337.1 (4)
C1—O5—C647.6 (7)O33—O28—O23136.0 (7)
OW35ii—O5—C660.1 (8)O30—O28—O2378.2 (6)
U1—O5—O1098.0 (7)O27—O28—O2391.6 (6)
O15iii—O5—O10118.2 (6)O29vi—O28—O2360.4 (5)
N1—O5—O1091.3 (7)O19—O28—O2361.6 (5)
O13ii—O5—O10101.9 (6)Cr4—O28—N297.9 (10)
O7iii—O5—O10148.9 (7)U4—O28—N2123.9 (10)
O9—O5—O1051.6 (4)O33—O28—N263.2 (9)
O6i—O5—O1064.3 (5)O30—O28—N2108.2 (10)
C1—O5—O1089.5 (6)O27—O28—N2117.5 (10)
OW35ii—O5—O1099.1 (7)O29vi—O28—N289.4 (9)
C6—O5—O1066.1 (7)O19—O28—N2132.9 (10)
U1—O5—O14iii101.9 (6)O23—O28—N2149.7 (10)
O15iii—O5—O14iii81.3 (5)Cr4—O28—O22164.7 (8)
N1—O5—O14iii68.6 (7)U4—O28—O2236.8 (4)
O13ii—O5—O14iii82.5 (5)O33—O28—O22149.8 (8)
O7iii—O5—O14iii49.1 (5)O30—O28—O22150.7 (8)
O9—O5—O14iii138.8 (6)O27—O28—O22129.3 (6)
O6i—O5—O14iii137.1 (6)O29vi—O28—O2261.4 (5)
C1—O5—O14iii77.6 (6)O19—O28—O2258.9 (5)
OW35ii—O5—O14iii64.6 (7)O23—O28—O2274.0 (5)
C6—O5—O14iii92.2 (7)N2—O28—O2291.8 (9)
O10—O5—O14iii158.0 (7)Cr4—O28—OW34ix81.0 (5)
Cr1—O6—U1ii143.3 (9)U4—O28—OW34ix98.1 (5)
Cr1—O6—O1434.4 (5)O33—O28—OW34ix81.2 (5)
U1ii—O6—O14155.0 (7)O30—O28—OW34ix53.0 (5)
Cr1—O6—O734.0 (4)O27—O28—OW34ix112.5 (6)
U1ii—O6—O7110.1 (7)O29vi—O28—OW34ix51.7 (4)
O14—O6—O758.6 (5)O19—O28—OW34ix142.4 (7)
Cr1—O6—O236.2 (4)O23—O28—OW34ix80.8 (5)
U1ii—O6—O2137.7 (7)N2—O28—OW34ix80.4 (9)
O14—O6—O259.6 (5)O22—O28—OW34ix112.6 (6)
O7—O6—O259.8 (5)Cr4—O28—OW35iii79.3 (7)
Cr1—O6—O15vii101.0 (7)U4—O28—OW35iii135.2 (7)
U1ii—O6—O15vii54.1 (4)O33—O28—OW35iii50.3 (6)
O14—O6—O15vii101.3 (6)O30—O28—OW35iii109.1 (7)
O7—O6—O15vii70.8 (5)O27—O28—OW35iii80.4 (6)
O2—O6—O15vii130.1 (7)O29vi—O28—OW35iii130.6 (7)
Cr1—O6—O9ii134.6 (8)O19—O28—OW35iii102.2 (7)
U1ii—O6—O9ii54.0 (4)O23—O28—OW35iii163.7 (7)
O14—O6—O9ii150.9 (7)N2—O28—OW35iii43.2 (10)
O7—O6—O9ii131.6 (7)O22—O28—OW35iii100.1 (7)
O2—O6—O9ii99.7 (6)OW34ix—O28—OW35iii115.4 (6)
O15vii—O6—O9ii107.8 (6)Cr5—O29—U4ix139.4 (7)
Cr1—O6—O11ii162.8 (8)Cr5—O29—O2036.5 (4)
U1ii—O6—O11ii38.1 (4)U4ix—O29—O20169.1 (7)
O14—O6—O11ii133.5 (7)Cr5—O29—O2534.3 (4)
O7—O6—O11ii137.0 (7)U4ix—O29—O25111.7 (6)
O2—O6—O11ii160.6 (7)O20—O29—O2559.6 (5)
O15vii—O6—O11ii66.3 (5)Cr5—O29—OW34iii102.1 (6)
O9ii—O6—O11ii62.3 (5)U4ix—O29—OW34iii117.0 (6)
Cr1—O6—O5ii110.4 (8)O20—O29—OW34iii65.6 (5)
U1ii—O6—O5ii35.7 (3)O25—O29—OW34iii115.9 (6)
O14—O6—O5ii139.9 (7)Cr5—O29—O3095.3 (6)
O7—O6—O5ii81.4 (6)U4ix—O29—O3054.8 (4)
O2—O6—O5ii104.7 (6)O20—O29—O30128.4 (6)
O15vii—O6—O5ii58.6 (5)O25—O29—O3091.1 (6)
O9ii—O6—O5ii60.9 (5)OW34iii—O29—O30151.5 (7)
O11ii—O6—O5ii73.9 (5)Cr5—O29—O2433.4 (4)
Cr1—O6—Cr2ii105.2 (6)U4ix—O29—O24123.3 (6)
U1ii—O6—Cr2ii80.3 (4)O20—O29—O2459.4 (5)
O14—O6—Cr2ii124.2 (6)O25—O29—O2458.3 (5)
O7—O6—Cr2ii113.3 (5)OW34iii—O29—O24116.1 (6)
O2—O6—Cr2ii69.6 (4)O30—O29—O2469.1 (5)
O15vii—O6—Cr2ii129.7 (6)Cr5—O29—O28ix140.0 (8)
O9ii—O6—Cr2ii30.2 (3)U4ix—O29—O28ix52.5 (4)
O11ii—O6—Cr2ii92.0 (5)O20—O29—O28ix122.2 (6)
O5ii—O6—Cr2ii72.1 (4)O25—O29—O28ix111.0 (7)
Cr1—O6—O10ii84.3 (6)OW34iii—O29—O28ix73.0 (5)
U1ii—O6—O10ii85.4 (5)O30—O29—O28ix107.2 (6)
O14—O6—O10ii113.6 (6)O24—O29—O28ix167.8 (7)
O7—O6—O10ii85.1 (5)Cr5—O29—O23ix157.4 (8)
O2—O6—O10ii54.1 (4)U4ix—O29—O23ix37.4 (4)
O15vii—O6—O10ii117.5 (7)O20—O29—O23ix152.1 (7)
O9ii—O6—O10ii51.5 (4)O25—O29—O23ix148.1 (6)
O11ii—O6—O10ii111.5 (6)OW34iii—O29—O23ix92.1 (5)
O5ii—O6—O10ii61.3 (5)O30—O29—O23ix65.3 (5)
Cr2ii—O6—O10ii28.5 (3)O24—O29—O23ix124.1 (7)
Cr1—O6—O12ii94.0 (6)O28ix—O29—O23ix61.0 (5)
U1ii—O6—O12ii103.9 (5)Cr5—O29—O22ix107.4 (6)
O14—O6—O12ii101.0 (6)U4ix—O29—O22ix36.5 (3)
O7—O6—O12ii116.8 (6)O20—O29—O22ix133.5 (7)
O2—O6—O12ii59.1 (4)O25—O29—O22ix75.8 (5)
O15vii—O6—O12ii156.9 (6)OW34iii—O29—O22ix132.6 (7)
O9ii—O6—O12ii50.0 (4)O30—O29—O22ix60.1 (5)
O11ii—O6—O12ii101.8 (5)O24—O29—O22ix108.9 (6)
O5ii—O6—O12ii99.7 (5)O28ix—O29—O22ix60.5 (5)
Cr2ii—O6—O12ii27.6 (3)O23ix—O29—O22ix73.8 (5)
O10ii—O6—O12ii46.3 (4)Cr5—O29—O30ix141.6 (6)
Cr1—O7—U1xi143.2 (8)U4ix—O29—O30ix76.2 (4)
Cr1—O7—O1434.7 (5)O20—O29—O30ix105.6 (5)
U1xi—O7—O14110.0 (6)O25—O29—O30ix138.4 (6)
Cr1—O7—O13vii125.1 (8)OW34iii—O29—O30ix40.7 (4)
U1xi—O7—O13vii55.4 (4)O30—O29—O30ix122.3 (4)
O14—O7—O13vii101.8 (6)O24—O29—O30ix151.7 (6)
Cr1—O7—O634.9 (4)O28ix—O29—O30ix40.2 (4)
U1xi—O7—O6158.7 (7)O23ix—O29—O30ix57.2 (4)
O14—O7—O659.6 (6)O22ix—O29—O30ix98.6 (5)
O13vii—O7—O6106.4 (6)Cr4—O30—U4ix155.6 (9)
Cr1—O7—O236.4 (4)Cr4—O30—O3334.8 (5)
U1xi—O7—O2133.3 (6)U4ix—O30—O33125.5 (7)
O14—O7—O260.2 (6)Cr4—O30—O2835.6 (5)
O13vii—O7—O2160.9 (8)U4ix—O30—O28132.2 (7)
O6—O7—O260.6 (5)O33—O30—O2859.4 (6)
Cr1—O7—O15107.6 (7)Cr4—O30—O2735.5 (4)
U1xi—O7—O1553.8 (4)U4ix—O30—O27167.0 (7)
O14—O7—O1596.0 (6)O33—O30—O2760.1 (6)
O13vii—O7—O15108.9 (6)O28—O30—O2760.7 (5)
O6—O7—O15140.6 (7)Cr4—O30—OW34ix102.6 (8)
O2—O7—O1580.7 (5)U4ix—O30—OW34ix57.5 (4)
Cr1—O7—O11xi171.3 (7)O33—O30—OW34ix93.5 (7)
U1xi—O7—O11xi37.3 (4)O28—O30—OW34ix75.3 (6)
O14—O7—O11xi147.3 (7)O27—O30—OW34ix135.5 (7)
O13vii—O7—O11xi63.4 (5)Cr4—O30—O29139.4 (9)
O6—O7—O11xi149.9 (7)U4ix—O30—O2953.6 (4)
O2—O7—O11xi135.0 (7)O33—O30—O29118.2 (7)
O15—O7—O11xi65.4 (5)O28—O30—O29174.2 (8)
Cr1—O7—O5xi106.9 (7)O27—O30—O29113.6 (6)
U1xi—O7—O5xi37.2 (4)OW34ix—O30—O29110.4 (7)
O14—O7—O5xi72.9 (6)Cr4—O30—O22ix154.8 (9)
O13vii—O7—O5xi61.6 (5)U4ix—O30—O22ix37.7 (4)
O6—O7—O5xi127.7 (7)O33—O30—O22ix160.6 (7)
O2—O7—O5xi113.6 (6)O28—O30—O22ix121.0 (7)
O15—O7—O5xi59.6 (5)O27—O30—O22ix138.8 (8)
O11xi—O7—O5xi74.5 (5)OW34ix—O30—O22ix69.2 (6)
Cr1—O7—O494.6 (6)O29—O30—O22ix63.2 (6)
U1xi—O7—O4102.6 (5)Cr4—O30—O23ix124.9 (9)
O14—O7—O4120.3 (6)U4ix—O30—O23ix35.1 (4)
O13vii—O7—O4137.8 (7)O33—O30—O23ix91.1 (7)
O6—O7—O498.6 (5)O28—O30—O23ix124.5 (7)
O2—O7—O461.0 (5)O27—O30—O23ix144.6 (8)
O15—O7—O465.6 (4)OW34ix—O30—O23ix59.7 (5)
O11xi—O7—O477.9 (5)O29—O30—O23ix59.6 (5)
O5xi—O7—O4124.8 (6)O22ix—O30—O23ix72.8 (6)
Cr1—O7—O15vii87.5 (6)Cr4—O30—O2490.2 (7)
U1xi—O7—O15vii109.6 (5)U4ix—O30—O24108.6 (6)
O14—O7—O15vii92.3 (6)O33—O30—O2493.6 (6)
O13vii—O7—O15vii55.0 (4)O28—O30—O24118.8 (7)
O6—O7—O15vii55.8 (4)O27—O30—O2458.4 (5)
O2—O7—O15vii116.0 (6)OW34ix—O30—O24165.9 (7)
O15—O7—O15vii163.2 (5)O29—O30—O2455.5 (4)
O11xi—O7—O15vii100.3 (5)O22ix—O30—O24101.5 (7)
O5xi—O7—O15vii109.6 (5)O23ix—O30—O24108.0 (6)
O4—O7—O15vii121.8 (5)Cr4—O30—Cr5119.1 (7)
Cr1—O7—Cr3vii114.6 (6)U4ix—O30—Cr580.5 (4)
U1xi—O7—Cr3vii81.2 (4)O33—O30—Cr5116.5 (6)
O14—O7—Cr3vii108.3 (5)O28—O30—Cr5145.0 (6)
O13vii—O7—Cr3vii29.6 (3)O27—O30—Cr586.5 (5)
O6—O7—Cr3vii84.9 (4)OW34ix—O30—Cr5137.8 (7)
O2—O7—Cr3vii145.1 (6)O29—O30—Cr530.0 (3)
O15—O7—Cr3vii134.2 (6)O22ix—O30—Cr575.0 (5)
O11xi—O7—Cr3vii73.8 (4)O23ix—O30—Cr589.1 (5)
O5xi—O7—Cr3vii90.8 (4)O24—O30—Cr529.0 (3)
O4—O7—Cr3vii125.4 (5)Cr4—O30—O2381.0 (6)
O15vii—O7—Cr3vii29.1 (3)U4ix—O30—O23106.2 (6)
Cr3—O8—U2129.8 (7)O33—O30—O23112.4 (7)
Cr3—O8—O1634.4 (5)O28—O30—O2353.7 (5)
U2—O8—O16121.4 (7)O27—O30—O2379.5 (5)
Cr3—O8—O1337.0 (4)OW34ix—O30—O2379.2 (5)
U2—O8—O13157.9 (8)O29—O30—O23127.3 (7)
O16—O8—O1359.6 (5)O22ix—O30—O2374.1 (5)
Cr3—O8—O1534.1 (4)O23ix—O30—O23134.0 (5)
U2—O8—O1599.6 (6)O24—O30—O23109.2 (5)
O16—O8—O1558.8 (6)Cr5—O30—O23111.9 (5)
O13—O8—O1561.0 (5)Cr6—O31—U3iv141.5 (9)
Cr3—O8—OW17i101.2 (7)Cr6—O31—O3235.1 (5)
U2—O8—OW17i129.0 (6)U3iv—O31—O32107.9 (6)
O16—O8—OW17i99.1 (7)Cr6—O31—O1936.3 (5)
O13—O8—OW17i68.3 (5)U3iv—O31—O19157.1 (7)
O15—O8—OW17i129.1 (6)O32—O31—O1960.9 (6)
Cr3—O8—O1135.4 (9)Cr6—O31—O1834.5 (4)
U2—O8—O153.1 (4)U3iv—O31—O18134.8 (7)
O16—O8—O1165.4 (8)O32—O31—O1859.6 (6)
O13—O8—O1119.5 (7)O19—O31—O1859.7 (5)
O15—O8—O1107.3 (7)Cr6—O31—O20xi116.7 (8)
OW17i—O8—O193.5 (6)U3iv—O31—O20xi53.8 (4)
Cr3—O8—O3150.9 (9)O32—O31—O20xi89.6 (7)
U2—O8—O338.0 (4)O19—O31—O20xi104.3 (7)
O16—O8—O3120.1 (7)O18—O31—O20xi149.0 (8)
O13—O8—O3163.9 (7)Cr6—O31—O24iv117.3 (8)
O15—O8—O3134.3 (6)U3iv—O31—O24iv52.9 (4)
OW17i—O8—O396.6 (6)O32—O31—O24iv109.5 (7)
O1—O8—O365.2 (5)O19—O31—O24iv147.6 (8)
Cr3—O8—O290.8 (6)O18—O31—O24iv88.3 (6)
U2—O8—O252.1 (4)O20xi—O31—O24iv106.6 (6)
O16—O8—O269.9 (6)Cr6—O31—O26iv178.2 (9)
O13—O8—O2126.8 (7)U3iv—O31—O26iv36.7 (4)
O15—O8—O279.9 (5)O32—O31—O26iv143.2 (7)
OW17i—O8—O2139.2 (8)O19—O31—O26iv145.0 (8)
O1—O8—O2104.9 (6)O18—O31—O26iv145.9 (7)
O3—O8—O261.1 (5)O20xi—O31—O26iv62.4 (5)
Cr3—O8—O4100.7 (7)O24iv—O31—O26iv62.0 (5)
U2—O8—O435.0 (3)Cr6—O31—O21iv105.6 (8)
O16—O8—O4110.7 (6)U3iv—O31—O21iv36.0 (4)
O13—O8—O4122.9 (7)O32—O31—O21iv72.8 (6)
O15—O8—O467.2 (5)O19—O31—O21iv131.8 (8)
OW17i—O8—O4149.8 (7)O18—O31—O21iv108.2 (7)
O1—O8—O456.4 (5)O20xi—O31—O21iv60.7 (5)
O3—O8—O473.0 (5)O24iv—O31—O21iv59.8 (5)
O2—O8—O460.5 (5)O26iv—O31—O21iv72.6 (6)
Cr3—O8—O10140.1 (7)Cr6—O31—OW3490.2 (7)
U2—O8—O1085.2 (4)U3iv—O31—OW34108.0 (6)
O16—O8—O10147.4 (7)O32—O31—OW3495.1 (6)
O13—O8—O10103.3 (5)O19—O31—OW3456.8 (5)
O15—O8—O10140.9 (7)O18—O31—OW34116.0 (6)
OW17i—O8—O1048.6 (4)O20xi—O31—OW3459.6 (5)
O1—O8—O1046.3 (4)O24iv—O31—OW34152.2 (8)
O3—O8—O1068.1 (5)O26iv—O31—OW3490.6 (6)
O2—O8—O10129.0 (6)O21iv—O31—OW34118.9 (6)
O4—O8—O10101.9 (5)Cr6—O31—O25iv72.9 (6)
Cr3—O8—OW3572.8 (7)U3iv—O31—O25iv79.3 (4)
U2—O8—OW35118.4 (7)O32—O31—O25iv63.1 (5)
O16—O8—OW35104.8 (7)O19—O31—O25iv109.0 (7)
O13—O8—OW3547.9 (6)O18—O31—O25iv55.9 (4)
O15—O8—OW3570.6 (6)O20xi—O31—O25iv115.3 (6)
OW17i—O8—OW3573.1 (6)O24iv—O31—O25iv47.7 (5)
O1—O8—OW3571.7 (6)O26iv—O31—O25iv105.9 (6)
O3—O8—OW35135.0 (7)O21iv—O31—O25iv55.6 (4)
O2—O8—OW35147.1 (7)OW34—O31—O25iv158.1 (7)
O4—O8—OW3594.0 (7)Cr6—O31—Cr5iv90.2 (6)
O10—O8—OW3573.1 (6)U3iv—O31—Cr5iv74.8 (4)
Cr2—O9—U1132.5 (7)O32—O31—Cr5iv88.4 (5)
Cr2—O9—O136.7 (4)O19—O31—Cr5iv122.0 (6)
U1—O9—O1152.9 (7)O18—O31—Cr5iv62.3 (4)
Cr2—O9—O1234.0 (4)O20xi—O31—Cr5iv124.8 (5)
U1—O9—O12128.7 (6)O24iv—O31—Cr5iv27.1 (3)
O1—O9—O1259.7 (5)O26iv—O31—Cr5iv89.1 (5)
Cr2—O9—O1033.9 (5)O21iv—O31—Cr5iv66.2 (4)
U1—O9—O10100.6 (6)OW34—O31—Cr5iv174.5 (6)
O1—O9—O1059.7 (5)O25iv—O31—Cr5iv26.0 (3)
O12—O9—O1058.8 (5)Cr6—O32—O3135.5 (5)
Cr2—O9—O13ii144.6 (8)Cr6—O32—O1836.1 (5)
U1—O9—O13ii53.5 (4)O31—O32—O1861.8 (6)
O1—O9—O13ii118.1 (6)Cr6—O32—O1935.3 (5)
O12—O9—O13ii177.7 (6)O31—O32—O1959.9 (6)
O10—O9—O13ii121.0 (7)O18—O32—O1960.1 (5)
Cr2—O9—O6i91.0 (6)Cr6—O32—N3iv134.8 (9)
U1—O9—O6i52.5 (4)O31—O32—N3iv109.3 (7)
O1—O9—O6i127.8 (6)O18—O32—N3iv114.8 (7)
O12—O9—O6i76.3 (5)O19—O32—N3iv169.1 (9)
O10—O9—O6i74.5 (5)Cr6—O32—O25iv79.7 (6)
O13ii—O9—O6i105.9 (6)O31—O32—O25iv71.3 (6)
Cr2—O9—OW1795.6 (6)O18—O32—O25iv59.3 (5)
U1—O9—OW17118.7 (6)O19—O32—O25iv114.4 (6)
O1—O9—OW1759.0 (5)N3iv—O32—O25iv57.5 (5)
O12—O9—OW17112.5 (6)Cr6—O32—O21iv91.9 (7)
O10—O9—OW17108.1 (6)O31—O32—O21iv58.4 (5)
O13ii—O9—OW1765.3 (5)O18—O32—O21iv100.0 (6)
O6i—O9—OW17171.1 (7)O19—O32—O21iv116.9 (7)
Cr2—O9—O11148.8 (7)N3iv—O32—O21iv53.0 (5)
U1—O9—O1137.0 (4)O25iv—O32—O21iv54.8 (4)
O1—O9—O11169.0 (7)Cr6—O32—O16i136.2 (8)
O12—O9—O11120.1 (6)O31—O32—O16i168.6 (7)
O10—O9—O11130.7 (6)O18—O32—O16i116.0 (7)
O13ii—O9—O1161.9 (5)O19—O32—O16i109.0 (6)
O6i—O9—O1159.6 (5)N3iv—O32—O16i81.9 (6)
OW17—O9—O11114.8 (6)O25iv—O32—O16i118.0 (6)
Cr2—O9—O5103.8 (7)O21iv—O32—O16i131.6 (6)
U1—O9—O536.7 (3)Cr6—O32—O20xi77.1 (6)
O1—O9—O5116.4 (7)O31—O32—O20xi46.7 (5)
O12—O9—O5121.1 (6)O18—O32—O20xi108.5 (6)
O10—O9—O569.9 (5)O19—O32—O20xi80.6 (6)
O13ii—O9—O560.1 (5)N3iv—O32—O20xi92.7 (6)
O6i—O9—O563.1 (5)O25iv—O32—O20xi96.5 (5)
OW17—O9—O5109.4 (6)O21iv—O32—O20xi47.5 (4)
O11—O9—O573.7 (5)O16i—O32—O20xi133.1 (5)
Cr2—O9—O372.1 (5)Cr6—O32—O11xiv129.9 (7)
U1—O9—O3105.9 (5)O31—O32—O11xiv137.5 (6)
O1—O9—O350.6 (5)O18—O32—O11xiv93.8 (6)
O12—O9—O3105.1 (5)O19—O32—O11xiv139.4 (7)
O10—O9—O365.0 (5)N3iv—O32—O11xiv47.0 (5)
O13ii—O9—O373.1 (5)O25iv—O32—O11xiv66.2 (4)
O6i—O9—O3129.3 (6)O21iv—O32—O11xiv96.8 (5)
OW17—O9—O348.3 (4)O16i—O32—O11xiv52.0 (4)
O11—O9—O3133.7 (6)O20xi—O32—O11xiv139.7 (5)
O5—O9—O374.9 (5)Cr6—O32—U3iv69.0 (6)
Cr2—O9—U263.5 (4)O31—O32—U3iv34.1 (4)
U1—O9—U2129.5 (5)O18—O32—U3iv86.5 (5)
O1—O9—U231.3 (3)O19—O32—U3iv92.0 (6)
O12—O9—U291.0 (4)N3iv—O32—U3iv77.8 (5)
O10—O9—U271.8 (4)O25iv—O32—U3iv62.0 (4)
O13ii—O9—U286.9 (4)O21iv—O32—U3iv25.0 (3)
O6i—O9—U2145.9 (5)O16i—O32—U3iv154.6 (5)
OW17—O9—U236.4 (3)O20xi—O32—U3iv34.7 (3)
O11—O9—U2147.5 (5)O11xiv—O32—U3iv118.8 (4)
O5—O9—U299.5 (5)Cr6—O32—OW3452.2 (5)
O3—O9—U224.7 (2)O31—O32—OW3446.3 (4)
Cr2—O10—U2i135.8 (9)O18—O32—OW3488.0 (5)
Cr2—O10—O1234.5 (5)O19—O32—OW3439.6 (4)
U2i—O10—O12101.9 (6)N3iv—O32—OW34134.8 (7)
Cr2—O10—O135.8 (4)O25iv—O32—OW34117.6 (6)
U2i—O10—O1133.9 (7)O21iv—O32—OW3486.2 (5)
O12—O10—O159.7 (5)O16i—O32—OW34124.1 (5)
Cr2—O10—O934.3 (4)O20xi—O32—OW3442.1 (3)
U2i—O10—O9151.5 (7)O11xiv—O32—OW34176.1 (5)
O12—O10—O959.7 (5)U3iv—O32—OW3464.6 (3)
O1—O10—O958.7 (5)Cr4—O33—O3035.5 (5)
Cr2—O10—OW17i129.7 (8)Cr4—O33—O2837.1 (5)
U2i—O10—OW17i57.6 (4)O30—O33—O2861.6 (6)
O12—O10—OW17i124.5 (7)Cr4—O33—O2736.2 (5)
O1—O10—OW17i96.2 (6)O30—O33—O2761.4 (6)
O9—O10—OW17i150.0 (7)O28—O33—O2761.8 (5)
Cr2—O10—O2i98.4 (8)Cr4—O33—N4xii122.4 (9)
U2i—O10—O2i52.1 (4)O30—O33—N4xii100.1 (8)
O12—O10—O2i68.1 (6)O28—O33—N4xii159.4 (9)
O1—O10—O2i127.6 (8)O27—O33—N4xii102.0 (7)
O9—O10—O2i99.5 (6)Cr4—O33—N299.9 (11)
OW17i—O10—O2i109.4 (6)O30—O33—N2110.3 (11)
Cr2—O10—O4i159.4 (9)O28—O33—N263.3 (9)
U2i—O10—O4i36.7 (3)O27—O33—N2119.6 (10)
O12—O10—O4i128.9 (7)N4xii—O33—N2136.5 (11)
O1—O10—O4i163.0 (7)Cr4—O33—OW35iii114.7 (10)
O9—O10—O4i137.4 (6)O30—O33—OW35iii148.3 (9)
OW17i—O10—O4i66.9 (5)O28—O33—OW35iii87.1 (8)
O2i—O10—O4i61.9 (5)O27—O33—OW35iii100.5 (8)
Cr2—O10—O3i103.4 (8)N4xii—O33—OW35iii109.6 (9)
U2i—O10—O3i35.8 (4)N2—O33—OW35iii53.5 (11)
O12—O10—O3i73.8 (6)Cr4—O33—O12iii156.9 (9)
O1—O10—O3i99.6 (6)O30—O33—O12iii123.8 (7)
O9—O10—O3i133.5 (8)O28—O33—O12iii136.2 (7)
OW17i—O10—O3i61.4 (5)O27—O33—O12iii162.0 (7)
O2i—O10—O3i59.3 (5)N4xii—O33—O12iii60.8 (6)
O4i—O10—O3i72.5 (5)N2—O33—O12iii76.3 (9)
Cr2—O10—O592.8 (6)OW35iii—O33—O12iii81.8 (8)
U2i—O10—O5119.6 (6)Cr4—O33—O3xii144.6 (8)
O12—O10—O5111.8 (6)O30—O33—O3xii157.8 (7)
O1—O10—O5106.4 (6)O28—O33—O3xii134.9 (7)
O9—O10—O558.5 (5)O27—O33—O3xii109.7 (6)
OW17i—O10—O5123.3 (7)N4xii—O33—O3xii60.4 (6)
O2i—O10—O596.6 (5)N2—O33—O3xii91.9 (10)
O4i—O10—O584.5 (5)OW35iii—O33—O3xii49.2 (7)
O3i—O10—O5152.4 (6)O12iii—O33—O3xii58.4 (4)
Cr2—O10—O6i73.6 (6)Cr4—O33—OW34ix62.4 (6)
U2i—O10—O6i100.3 (5)O30—O33—OW34ix44.4 (5)
O12—O10—O6i67.6 (5)O28—O33—OW34ix57.0 (5)
O1—O10—O6i108.4 (6)O27—O33—OW34ix98.2 (6)
O9—O10—O6i54.0 (4)N4xii—O33—OW34ix117.8 (7)
OW17i—O10—O6i155.0 (6)N2—O33—OW34ix70.9 (9)
O2i—O10—O6i51.5 (4)OW35iii—O33—OW34ix123.5 (7)
O4i—O10—O6i88.5 (5)O12iii—O33—OW34ix95.2 (5)
O3i—O10—O6i108.7 (6)O3xii—O33—OW34ix151.9 (5)
O5—O10—O6i54.4 (4)Cr4—O33—O23ix83.6 (7)
Cr2—O10—Cr1i94.1 (6)O30—O33—O23ix48.7 (5)
U2i—O10—Cr1i73.0 (4)O28—O33—O23ix96.5 (6)
O12—O10—Cr1i75.1 (5)O27—O33—O23ix107.3 (6)
O1—O10—Cr1i129.7 (6)N4xii—O33—O23ix75.2 (6)
O9—O10—Cr1i80.9 (4)N2—O33—O23ix102.0 (9)
OW17i—O10—Cr1i128.9 (5)OW35iii—O33—O23ix150.2 (8)
O2i—O10—Cr1i27.5 (3)O12iii—O33—O23ix75.1 (5)
O4i—O10—Cr1i65.8 (4)O3xii—O33—O23ix126.5 (5)
O3i—O10—Cr1i86.8 (4)OW34ix—O33—O23ix42.5 (3)
O5—O10—Cr1i69.6 (4)Cr4—O33—O2454.4 (5)
O6i—O10—Cr1i27.3 (3)O30—O33—O2448.0 (5)
U1—O11—O6i54.3 (5)O28—O33—O2491.4 (6)
U1—O11—O7iii53.3 (5)O27—O33—O2442.4 (4)
O6i—O11—O7iii100.8 (6)N4xii—O33—O2468.3 (6)
U1—O11—O13ii52.7 (5)N2—O33—O24154.2 (10)
O6i—O11—O13ii100.3 (6)OW35iii—O33—O24135.2 (7)
O7iii—O11—O13ii53.9 (5)O12iii—O33—O24125.5 (5)
U1—O11—O953.9 (5)O3xii—O33—O24111.0 (5)
O6i—O11—O958.1 (5)OW34ix—O33—O2491.6 (5)
O7iii—O11—O998.7 (6)O23ix—O33—O2474.4 (4)
O13ii—O11—O956.1 (5)U4—OW34—O29xi135.5 (7)
U1—O11—N3vi125.1 (8)U4—OW34—O30vi53.9 (4)
O6i—O11—N3vi91.6 (6)O29xi—OW34—O30vi98.8 (6)
O7iii—O11—N3vi157.5 (7)U4—OW34—O1952.4 (4)
O13ii—O11—N3vi105.6 (6)O29xi—OW34—O19126.6 (7)
O9—O11—N3vi72.0 (6)O30vi—OW34—O19105.7 (7)
U1—O11—C8109.6 (10)U4—OW34—O2337.3 (4)
O6i—O11—C870.2 (9)O29xi—OW34—O23164.3 (7)
O7iii—O11—C8109.2 (10)O30vi—OW34—O2365.7 (5)
O13ii—O11—C8159.9 (10)O19—OW34—O2363.4 (5)
O9—O11—C8124.8 (9)U4—OW34—O20xi151.2 (7)
N3vi—O11—C892.7 (10)O29xi—OW34—O20xi56.2 (4)
U1—O11—C1x130.9 (9)O30vi—OW34—O20xi152.8 (7)
O6i—O11—C1x157.0 (7)O19—OW34—O20xi98.9 (6)
O7iii—O11—C1x77.7 (6)O23—OW34—O20xi138.3 (6)
O13ii—O11—C1x97.2 (6)U4—OW34—O31100.8 (5)
O9—O11—C1x144.9 (7)O29xi—OW34—O31109.8 (6)
N3vi—O11—C1x97.9 (7)O30vi—OW34—O31151.2 (7)
C8—O11—C1x88.4 (9)O19—OW34—O3154.2 (5)
U1—O11—O15iii49.5 (4)O23—OW34—O3185.9 (5)
O6i—O11—O15iii55.6 (5)O20xi—OW34—O3155.5 (4)
O7iii—O11—O15iii55.5 (5)U4—OW34—O2233.2 (3)
O13ii—O11—O15iii94.8 (6)O29xi—OW34—O22103.8 (6)
O9—O11—O15iii97.3 (6)O30vi—OW34—O2257.3 (5)
N3vi—O11—O15iii144.3 (7)O19—OW34—O2256.9 (5)
C8—O11—O15iii65.1 (9)O23—OW34—O2270.5 (5)
C1x—O11—O15iii108.3 (6)O20xi—OW34—O22133.3 (7)
U1—O11—O16ii101.1 (7)O31—OW34—O22110.7 (6)
O6i—O11—O16ii145.6 (6)U4—OW34—O28vi105.4 (5)
O7iii—O11—O16ii74.7 (5)O29xi—OW34—O28vi55.3 (4)
O13ii—O11—O16ii49.0 (5)O30vi—OW34—O28vi51.8 (5)
O9—O11—O16ii88.4 (5)O19—OW34—O28vi153.1 (7)
N3vi—O11—O16ii84.4 (6)O23—OW34—O28vi109.9 (6)
C8—O11—O16ii144.0 (10)O20xi—OW34—O28vi101.3 (5)
C1x—O11—O16ii56.8 (5)O31—OW34—O28vi152.3 (6)
O15iii—O11—O16ii130.2 (7)O22—OW34—O28vi96.2 (5)
U1—O11—O51.1 (3)U4—OW34—Cr4vi80.3 (3)
O6i—O11—O555.2 (5)O29xi—OW34—Cr4vi82.7 (4)
O7iii—O11—O553.0 (4)O30vi—OW34—Cr4vi27.1 (4)
O13ii—O11—O551.6 (4)O19—OW34—Cr4vi132.6 (6)
O9—O11—O553.5 (4)O23—OW34—Cr4vi82.0 (4)
N3vi—O11—O5124.9 (6)O20xi—OW34—Cr4vi128.1 (5)
C8—O11—O5110.7 (9)O31—OW34—Cr4vi158.1 (6)
C1x—O11—O5130.4 (7)O22—OW34—Cr4vi82.3 (4)
O15iii—O11—O550.4 (4)O28vi—OW34—Cr4vi28.4 (3)
O16ii—O11—O5100.0 (6)U4—OW34—Cr679.5 (4)
U1—O11—O4iii92.9 (6)O29xi—OW34—Cr6114.9 (5)
O6i—O11—O4iii106.4 (5)O30vi—OW34—Cr6133.3 (6)
O7iii—O11—O4iii52.7 (4)O19—OW34—Cr628.0 (3)
O13ii—O11—O4iii104.9 (5)O23—OW34—Cr679.4 (4)
O9—O11—O4iii146.8 (7)O20xi—OW34—Cr672.5 (4)
N3vi—O11—O4iii140.9 (7)O31—OW34—Cr627.9 (4)
C8—O11—O4iii63.1 (9)O22—OW34—Cr683.0 (4)
C1x—O11—O4iii54.3 (5)O28vi—OW34—Cr6169.8 (5)
O15iii—O11—O4iii54.3 (4)Cr4vi—OW34—Cr6159.3 (4)
O16ii—O11—O4iii97.8 (5)U4—OW34—Cr5xi154.2 (6)
O5—O11—O4iii93.3 (5)O29xi—OW34—Cr5xi28.2 (3)
Cr2—O12—O136.0 (4)O30vi—OW34—Cr5xi126.4 (5)
Cr2—O12—O1035.4 (5)O19—OW34—Cr5xi115.0 (5)
O1—O12—O1060.5 (5)O23—OW34—Cr5xi165.6 (6)
Cr2—O12—O935.4 (4)O20xi—OW34—Cr5xi27.9 (3)
O1—O12—O959.6 (5)O31—OW34—Cr5xi82.4 (4)
O10—O12—O961.5 (5)O22—OW34—Cr5xi121.6 (5)
Cr2—O12—N4i141.5 (9)O28vi—OW34—Cr5xi78.0 (4)
O1—O12—N4i152.1 (7)Cr4vi—OW34—Cr5xi106.3 (4)
O10—O12—N4i106.7 (7)Cr6—OW34—Cr5xi93.8 (3)
O9—O12—N4i139.6 (7)U4—OW34—HW3A109.5
Cr2—O12—O2i90.0 (7)O29xi—OW34—HW3A100.3
O1—O12—O2i118.9 (7)O30vi—OW34—HW3A160.8
O10—O12—O2i58.6 (5)O19—OW34—HW3A60.8
O9—O12—O2i94.7 (6)O23—OW34—HW3A95.2
N4i—O12—O2i52.5 (5)O20xi—OW34—HW3A46.0
Cr2—O12—O33xi141.1 (8)O31—OW34—HW3A9.6
O1—O12—O33xi110.2 (6)O22—OW34—HW3A115.7
O10—O12—O33xi124.6 (6)O28vi—OW34—HW3A144.7
O9—O12—O33xi165.5 (6)Cr4vi—OW34—HW3A159.8
N4i—O12—O33xi54.1 (5)Cr6—OW34—HW3A33.1
O2i—O12—O33xi99.5 (5)Cr5xi—OW34—HW3A72.8
Cr2—O12—O3i88.6 (6)U4—OW34—HW3B109.6
O1—O12—O3i90.4 (5)O29xi—OW34—HW3B27.5
O10—O12—O3i57.4 (5)O30vi—OW34—HW3B88.7
O9—O12—O3i118.9 (6)O19—OW34—HW3B106.1
N4i—O12—O3i63.0 (5)O23—OW34—HW3B145.9
O2i—O12—O3i52.5 (4)O20xi—OW34—HW3B73.1
O33xi—O12—O3i68.9 (5)O31—OW34—HW3B115.3
Cr2—O12—O6i72.6 (5)O22—OW34—HW3B76.8
O1—O12—O6i107.8 (6)O28vi—OW34—HW3B63.7
O10—O12—O6i66.1 (5)Cr4vi—OW34—HW3B84.3
O9—O12—O6i53.7 (4)Cr6—OW34—HW3B106.4
N4i—O12—O6i85.9 (5)Cr5xi—OW34—HW3B48.2
O2i—O12—O6i49.6 (4)HW3A—OW34—HW3B107.7
O33xi—O12—O6i139.8 (6)N2xi—OW35—O3i120.4 (14)
O3i—O12—O6i98.7 (5)N2xi—OW35—O13118.0 (14)
Cr2—O12—U2i71.4 (5)O3i—OW35—O1390.1 (10)
O1—O12—U2i87.8 (5)N2xi—OW35—O33xi61.7 (12)
O10—O12—U2i36.3 (3)O3i—OW35—O33xi78.7 (9)
O9—O12—U2i95.3 (5)O13—OW35—O33xi165.3 (12)
N4i—O12—U2i72.3 (5)N2xi—OW35—O5i149.4 (15)
O2i—O12—U2i36.4 (3)O3i—OW35—O5i90.2 (9)
O33xi—O12—U2i94.5 (4)O13—OW35—O5i56.5 (7)
O3i—O12—U2i26.5 (3)O33xi—OW35—O5i132.1 (11)
O6i—O12—U2i74.5 (4)N2xi—OW35—C6i128.2 (16)
Cr2—O12—OW3594.5 (7)O3i—OW35—C6i67.5 (9)
O1—O12—OW3571.1 (6)O13—OW35—C6i112.8 (11)
O10—O12—OW3582.7 (6)O33xi—OW35—C6i71.9 (9)
O9—O12—OW35128.5 (7)O5i—OW35—C6i60.9 (8)
N4i—O12—OW3583.1 (6)N2xi—OW35—O14viii89.6 (12)
O2i—O12—OW3596.4 (6)O3i—OW35—O14viii149.4 (11)
O33xi—O12—OW3547.2 (6)O13—OW35—O14viii79.5 (8)
O3i—O12—OW3544.4 (5)O33xi—OW35—O14viii114.9 (10)
O6i—O12—OW35142.1 (7)O5i—OW35—O14viii60.1 (6)
U2i—O12—OW3567.6 (5)C6i—OW35—O14viii90.0 (9)
Cr2—O12—O23vi147.6 (7)N2xi—OW35—O28xi48.7 (11)
O1—O12—O23vi129.8 (6)O3i—OW35—O28xi120.3 (10)
O10—O12—O23vi167.6 (6)O13—OW35—O28xi149.6 (10)
O9—O12—O23vi115.6 (5)O33xi—OW35—O28xi42.5 (6)
N4i—O12—O23vi67.1 (5)O5i—OW35—O28xi118.3 (9)
O2i—O12—O23vi111.2 (5)C6i—OW35—O28xi81.8 (9)
O33xi—O12—O23vi61.5 (4)O14viii—OW35—O28xi73.9 (7)
O3i—O12—O23vi123.7 (5)N2xi—OW35—O886.4 (12)
O6i—O12—O23vi102.2 (5)O3i—OW35—O882.1 (8)
U2i—O12—O23vi139.3 (4)O13—OW35—O842.6 (5)
OW35—O12—O23vi106.5 (6)O33xi—OW35—O8125.3 (9)
Cr3—O13—U1i140.2 (7)O5i—OW35—O898.5 (9)
Cr3—O13—O1634.5 (5)C6i—OW35—O8142.0 (11)
U1i—O13—O16110.4 (6)O14viii—OW35—O8107.4 (8)
Cr3—O13—O7viii98.4 (6)O28xi—OW35—O8134.9 (8)
U1i—O13—O7viii55.5 (4)N2xi—OW35—O1575.5 (11)
O16—O13—O7viii92.6 (6)O3i—OW35—O15121.4 (10)
Cr3—O13—O837.2 (4)O13—OW35—O1543.6 (5)
U1i—O13—O8164.4 (8)O33xi—OW35—O15136.7 (10)
O16—O13—O859.9 (6)O5i—OW35—O1588.6 (8)
O7viii—O13—O8132.9 (6)C6i—OW35—O15149.1 (11)
Cr3—O13—O1533.9 (4)O14viii—OW35—O1568.5 (6)
U1i—O13—O15126.8 (6)O28xi—OW35—O15111.3 (8)
O16—O13—O1558.8 (6)O8—OW35—O1540.5 (4)
O7viii—O13—O1572.3 (5)N2xi—OW35—O1264.6 (11)
O8—O13—O1560.9 (5)O3i—OW35—O1255.8 (6)
Cr3—O13—O9i135.8 (8)O13—OW35—O12114.7 (9)
U1i—O13—O9i54.7 (4)O33xi—OW35—O1251.0 (6)
O16—O13—O9i109.2 (7)O5i—OW35—O12145.9 (10)
O7viii—O13—O9i110.2 (6)C6i—OW35—O12103.0 (9)
O8—O13—O9i114.6 (6)O14viii—OW35—O12154.0 (10)
O15—O13—O9i168.0 (7)O28xi—OW35—O1285.6 (7)
Cr3—O13—O5i159.8 (8)O8—OW35—O1275.9 (6)
U1i—O13—O5i38.1 (4)O15—OW35—O12105.7 (7)
O16—O13—O5i147.4 (7)N2xi—OW35—O159.1 (11)
O7viii—O13—O5i64.0 (5)O3i—OW35—O175.2 (7)
O8—O13—O5i152.7 (7)O13—OW35—O183.7 (8)
O15—O13—O5i126.1 (6)O33xi—OW35—O184.2 (8)
O9i—O13—O5i63.5 (5)O5i—OW35—O1137.9 (10)
Cr3—O13—OW35108.5 (9)C6i—OW35—O1138.7 (10)
U1i—O13—OW35103.6 (7)O14viii—OW35—O1131.0 (8)
O16—O13—OW35143.0 (9)O28xi—OW35—O1103.0 (7)
O7viii—O13—OW3594.8 (8)O8—OW35—O141.2 (4)
O8—O13—OW3589.5 (8)O15—OW35—O167.7 (5)
O15—O13—OW3589.2 (8)O12—OW35—O138.3 (4)
O9i—O13—OW35102.2 (7)N2xi—OW35—HW3E109.2
O5i—O13—OW3565.7 (7)O3i—OW35—HW3E31.2
Cr3—O13—O11i106.7 (7)O13—OW35—HW3E69.2
U1i—O13—O11i37.1 (4)O33xi—OW35—HW3E96.7
O16—O13—O11i73.9 (6)O5i—OW35—HW3E96.9
O7viii—O13—O11i62.7 (5)C6i—OW35—HW3E97.3
O8—O13—O11i129.8 (7)O14viii—OW35—HW3E148.2
O15—O13—O11i111.3 (6)O28xi—OW35—HW3E137.7
O9i—O13—O11i62.0 (5)O8—OW35—HW3E51.0
O5i—O13—O11i75.1 (5)O15—OW35—HW3E91.0
OW35—O13—O11i140.5 (8)O12—OW35—HW3E53.1
Cr3—O13—OW17i91.2 (6)O1—OW35—HW3E51.8
U1i—O13—OW17i113.9 (5)N2xi—OW35—HW3F109.7
O16—O13—OW17i92.6 (6)O3i—OW35—HW3F121.7
O7viii—O13—OW17i169.3 (6)O13—OW35—HW3F37.9
O8—O13—OW17i57.6 (5)O33xi—OW35—HW3F156.5
O15—O13—OW17i118.3 (6)O5i—OW35—HW3F45.2
O9i—O13—OW17i59.2 (4)C6i—OW35—HW3F103.6
O5i—O13—OW17i107.3 (5)O14viii—OW35—HW3F41.6
OW35—O13—OW17i86.7 (7)O28xi—OW35—HW3F114.6
O11i—O13—OW17i110.0 (6)O8—OW35—HW3F72.8
Cr3—O13—O14viii106.8 (6)O15—OW35—HW3F45.6
U1i—O13—O14viii72.8 (4)O12—OW35—HW3F148.5
O16—O13—O14viii121.2 (6)O1—OW35—HW3F110.9
O7viii—O13—O14viii38.8 (4)HW3E—OW35—HW3F106.8
O8—O13—O14viii122.4 (6)N1—C1—O568.1 (14)
O15—O13—O14viii72.9 (5)N1—C1—O16iii110.8 (14)
O9i—O13—O14viii116.7 (5)O5—C1—O16iii70.5 (6)
O5i—O13—O14viii53.3 (4)N1—C1—O11xii176.9 (15)
OW35—O13—O14viii56.0 (7)O5—C1—O11xii111.2 (9)
O11i—O13—O14viii96.9 (5)O16iii—C1—O11xii66.3 (6)
OW17i—O13—O14viii141.9 (6)N1—C1—O18x73.3 (14)
Cr1—O14—O735.6 (5)O5—C1—O18x140.1 (8)
Cr1—O14—O636.3 (5)O16iii—C1—O18x116.1 (8)
O7—O14—O661.8 (6)O11xii—C1—O18x106.8 (8)
Cr1—O14—O237.1 (5)N1—C1—O4i108.8 (14)
O7—O14—O261.6 (6)O5—C1—O4i83.6 (7)
O6—O14—O261.8 (5)O16iii—C1—O4i118.6 (9)
Cr1—O14—O1691.6 (7)O11xii—C1—O4i73.9 (6)
O7—O14—O1683.6 (6)O18x—C1—O4i119.1 (8)
O6—O14—O16125.6 (7)N1—C1—H1A109.5
O2—O14—O1665.1 (5)O5—C1—H1A92.3
Cr1—O14—O5xi93.0 (8)O16iii—C1—H1A125.1
O7—O14—O5xi58.0 (5)O11xii—C1—H1A73.4
O6—O14—O5xi116.1 (7)O18x—C1—H1A110.2
O2—O14—O5xi104.0 (7)O4i—C1—H1A9.3
O16—O14—O5xi66.5 (5)N1—C1—H1B110.0
Cr1—O14—OW35vii110.7 (9)O5—C1—H1B54.2
O7—O14—OW35vii83.9 (7)O16iii—C1—H1B20.9
O6—O14—OW35vii100.0 (7)O11xii—C1—H1B67.7
O2—O14—OW35vii145.3 (9)O18x—C1—H1B136.7
O16—O14—OW35vii117.7 (7)O4i—C1—H1B101.1
O5xi—O14—OW35vii55.3 (6)H1A—C1—H1B108.9
Cr1—O14—O22ii121.5 (7)N1—C1—H1C109.8
O7—O14—O22ii150.4 (6)O5—C1—H1C157.1
O6—O14—O22ii89.5 (6)O16iii—C1—H1C90.2
O2—O14—O22ii112.9 (6)O11xii—C1—H1C69.7
O16—O14—O22ii122.0 (6)O18x—C1—H1C39.0
O5xi—O14—O22ii142.2 (6)O4i—C1—H1C117.5
OW35vii—O14—O22ii95.0 (7)H1A—C1—H1C109.3
Cr1—O14—O1564.3 (6)H1B—C1—H1C109.3
O7—O14—O1543.8 (4)N3—C2—O2572.2 (12)
O6—O14—O1599.8 (6)N3—C2—O22ix139.0 (16)
O2—O14—O1560.4 (5)O25—C2—O22ix67.2 (6)
O16—O14—O1540.9 (4)N3—C2—H2A110.0
O5xi—O14—O1544.5 (4)O25—C2—H2A79.4
OW35vii—O14—O1597.9 (7)O22ix—C2—H2A57.4
O22ii—O14—O15162.5 (5)N3—C2—H2B110.4
Cr1—O14—U1xi67.8 (6)O25—C2—H2B61.0
O7—O14—U1xi32.8 (3)O22ix—C2—H2B53.1
O6—O14—U1xi92.8 (6)H2A—C2—H2B108.5
O2—O14—U1xi84.4 (5)N3—C2—H2C110.2
O16—O14—U1xi70.9 (5)O25—C2—H2C169.4
O5xi—O14—U1xi25.3 (3)O22ix—C2—H2C110.7
OW35vii—O14—U1xi66.4 (6)H2A—C2—H2C108.6
O22ii—O14—U1xi161.3 (5)H2B—C2—H2C109.1
O15—O14—U1xi33.9 (2)N2xi—C3—O26xv162 (3)
Cr1—O14—O19ii157.5 (8)N2xi—C3—H3A109.6
O7—O14—O19ii165.6 (6)O26xv—C3—H3A52.2
O6—O14—O19ii132.1 (7)N2xi—C3—H3B108.1
O2—O14—O19ii125.5 (6)O26xv—C3—H3B83.5
O16—O14—O19ii88.7 (5)H3A—C3—H3B109.4
O5xi—O14—O19ii107.7 (5)N2xi—C3—H3C110.1
OW35vii—O14—O19ii88.9 (6)O26xv—C3—H3C77.9
O22ii—O14—O19ii42.7 (4)H3A—C3—H3C109.9
O15—O14—O19ii125.7 (5)H3B—C3—H3C109.7
U1xi—O14—O19ii132.8 (4)N4—C4—H4A109.2
Cr1—O14—O13vii69.1 (6)N4—C4—H4B109.0
O7—O14—O13vii39.5 (4)H4A—C4—H4B110.1
O6—O14—O13vii75.8 (5)N4—C4—H4C108.8
O2—O14—O13vii100.9 (6)H4A—C4—H4C109.6
O16—O14—O13vii104.1 (6)H4B—C4—H4C110.1
O5xi—O14—O13vii44.2 (4)N4—C5—O22ii154 (2)
OW35vii—O14—O13vii44.5 (6)N4—C5—H5A109.5
O22ii—O14—O13vii130.8 (5)O22ii—C5—H5A96.0
O15—O14—O13vii66.3 (4)N4—C5—H5B109.1
U1xi—O14—O13vii33.3 (2)O22ii—C5—H5B66.4
O19ii—O14—O13vii132.5 (5)H5A—C5—H5B109.2
Cr3—O15—U1xi149.8 (8)N4—C5—H5C110.0
Cr3—O15—O1634.2 (5)O22ii—C5—H5C53.0
U1xi—O15—O16115.7 (7)H5A—C5—H5C109.6
Cr3—O15—O834.7 (4)H5B—C5—H5C109.4
U1xi—O15—O8151.4 (6)N1—C6—O27x74.4 (17)
O16—O15—O858.9 (6)N1—C6—OW35ii77.5 (15)
Cr3—O15—O1334.4 (4)O27x—C6—OW35ii87.9 (9)
U1xi—O15—O13147.0 (6)N1—C6—O563.3 (16)
O16—O15—O1358.7 (6)O27x—C6—O5130.1 (10)
O8—O15—O1358.2 (5)OW35ii—C6—O559.0 (8)
Cr3—O15—O6viii133.7 (7)N1—C6—H6A108.8
U1xi—O15—O6viii53.0 (4)O27x—C6—H6A96.1
O16—O15—O6viii127.0 (7)OW35ii—C6—H6A173.3
O8—O15—O6viii154.8 (7)O5—C6—H6A121.1
O13—O15—O6viii101.9 (6)N1—C6—H6B109.9
Cr3—O15—O7113.1 (7)O27x—C6—H6B45.4
U1xi—O15—O753.1 (4)OW35ii—C6—H6B69.6
O16—O15—O789.9 (6)O5—C6—H6B128.5
O8—O15—O798.3 (6)H6A—C6—H6B109.5
O13—O15—O7146.9 (7)N1—C6—H6C109.7
O6viii—O15—O7105.8 (6)O27x—C6—H6C150.7
Cr3—O15—O5xi112.6 (8)OW35ii—C6—H6C65.7
U1xi—O15—O5xi38.3 (4)O5—C6—H6C46.5
O16—O15—O5xi79.9 (6)H6A—C6—H6C109.2
O8—O15—O5xi135.3 (7)H6B—C6—H6C109.7
O13—O15—O5xi115.9 (6)N3—C7—O2167.6 (13)
O6viii—O15—O5xi65.0 (5)N3—C7—O26iv174.2 (18)
O7—O15—O5xi62.5 (5)O21—C7—O26iv107.2 (9)
Cr3—O15—O11xi168.0 (7)N3—C7—H7A109.2
U1xi—O15—O11xi34.7 (3)O21—C7—H7A117.7
O16—O15—O11xi145.7 (7)O26iv—C7—H7A70.2
O8—O15—O11xi134.0 (6)N3—C7—H7B109.6
O13—O15—O11xi153.9 (7)O21—C7—H7B130.7
O6viii—O15—O11xi58.1 (5)O26iv—C7—H7B75.8
O7—O15—O11xi59.1 (5)H7A—C7—H7B109.6
O5xi—O15—O11xi73.0 (5)N3—C7—H7C109.5
Cr3—O15—O7viii80.6 (5)O21—C7—H7C42.5
U1xi—O15—O7viii95.1 (5)O26iv—C7—H7C65.8
O16—O15—O7viii81.6 (6)H7A—C7—H7C109.5
O8—O15—O7viii110.7 (5)H7B—C7—H7C109.4
O13—O15—O7viii52.7 (4)N2—C8—O11160 (3)
O6viii—O15—O7viii53.3 (4)N2—C8—H8A110.0
O7—O15—O7viii139.0 (5)O11—C8—H8A75.5
O5xi—O15—O7viii76.5 (5)N2—C8—H8B109.6
O11xi—O15—O7viii111.3 (5)O11—C8—H8B85.3
Cr3—O15—O494.7 (6)H8A—C8—H8B109.6
U1xi—O15—O498.6 (5)N2—C8—H8C108.5
O16—O15—O4105.7 (6)O11—C8—H8C52.6
O8—O15—O460.5 (5)H8A—C8—H8C109.5
O13—O15—O4114.3 (5)H8B—C8—H8C109.6
O6viii—O15—O4126.5 (6)C6—N1—C1112 (2)
O7—O15—O461.1 (4)C6—N1—O588.6 (18)
O5xi—O15—O4123.3 (5)C1—N1—O582.0 (15)
O11xi—O15—O473.6 (5)C6—N1—O27x77.1 (17)
O7viii—O15—O4159.5 (6)C1—N1—O27x128.5 (17)
Cr3—O15—Cr1viii106.3 (5)O5—N1—O27x149.4 (10)
U1xi—O15—Cr1viii77.8 (3)C6—N1—O18x108.4 (18)
O16—O15—Cr1viii108.3 (5)C1—N1—O18x78.0 (14)
O8—O15—Cr1viii130.7 (5)O5—N1—O18x157.4 (10)
O13—O15—Cr1viii74.4 (4)O27x—N1—O18x52.3 (6)
O6viii—O15—Cr1viii27.7 (3)C6—N1—H1D109.6
O7—O15—Cr1viii130.5 (5)C1—N1—H1D68.2
O5xi—O15—Cr1viii75.5 (4)O5—N1—H1D22.1
O11xi—O15—Cr1viii85.2 (4)O27x—N1—H1D159.5
O7viii—O15—Cr1viii27.5 (3)O18x—N1—H1D136.2
O4—O15—Cr1viii143.8 (5)C6—N1—H1E109.1
Cr3—O16—O1336.6 (5)C1—N1—H1E137.7
Cr3—O16—O1535.8 (5)O5—N1—H1E109.4
O13—O16—O1562.5 (6)O27x—N1—H1E52.8
Cr3—O16—O836.7 (5)O18x—N1—H1E79.6
O13—O16—O860.4 (6)H1D—N1—H1E107.3
O15—O16—O862.3 (6)C3iii—N2—C8103 (3)
Cr3—O16—C1xi123.8 (10)C3iii—N2—OW35iii144 (3)
O13—O16—C1xi104.3 (7)C8—N2—OW35iii102 (3)
O15—O16—C1xi100.5 (8)C3iii—N2—O33100 (3)
O8—O16—C1xi160.4 (9)C8—N2—O33153 (3)
Cr3—O16—O14117.1 (9)OW35iii—N2—O3364.8 (12)
O13—O16—O14150.8 (8)C3iii—N2—O28110 (3)
O15—O16—O1488.3 (6)C8—N2—O28105 (2)
O8—O16—O14107.0 (7)OW35iii—N2—O2888.1 (14)
C1xi—O16—O1480.2 (6)O33—N2—O2853.6 (8)
Cr3—O16—O281.7 (7)C3iii—N2—H2D109.2
O13—O16—O2116.1 (7)C8—N2—H2D22.0
O15—O16—O275.8 (6)OW35iii—N2—H2D103.9
O8—O16—O257.8 (5)O33—N2—H2D134.3
C1xi—O16—O2130.3 (7)O28—N2—H2D83.3
O14—O16—O250.4 (4)C3iii—N2—H2E109.2
Cr3—O16—O11i92.4 (7)C8—N2—H2E127.6
O13—O16—O11i57.2 (5)OW35iii—N2—H2E74.0
O15—O16—O11i102.1 (7)O33—N2—H2E28.9
O8—O16—O11i114.8 (7)O28—N2—H2E24.9
C1xi—O16—O11i57.0 (5)H2D—N2—H2E106.4
O14—O16—O11i137.0 (7)C7—N3—C2112.4 (18)
O2—O16—O11i172.5 (7)C7—N3—O2183.8 (14)
Cr3—O16—O32ii159.8 (9)C2—N3—O2196.7 (15)
O13—O16—O32ii124.3 (7)C7—N3—O32v97.4 (13)
O15—O16—O32ii158.4 (7)C2—N3—O32v146.5 (15)
O8—O16—O32ii139.3 (7)O21—N3—O32v70.8 (6)
C1xi—O16—O32ii58.6 (6)C7—N3—O11ix124.8 (16)
O14—O16—O32ii83.1 (6)C2—N3—O11ix88.5 (14)
O2—O16—O32ii112.5 (6)O21—N3—O11ix146.2 (8)
O11i—O16—O32ii72.1 (5)O32v—N3—O11ix86.5 (6)
Cr3—O16—O5xi87.4 (7)C7—N3—O25146.1 (16)
O13—O16—O5xi99.4 (6)C2—N3—O2579.6 (13)
O15—O16—O5xi52.7 (5)O21—N3—O2562.9 (6)
O8—O16—O5xi112.8 (7)O32v—N3—O2567.0 (6)
C1xi—O16—O5xi54.6 (6)O11ix—N3—O2585.5 (6)
O14—O16—O5xi59.2 (5)C7—N3—H3D109.5
O2—O16—O5xi90.0 (5)C2—N3—H3D98.2
O11i—O16—O5xi94.4 (5)O21—N3—H3D28.8
O32ii—O16—O5xi106.2 (6)O32v—N3—H3D55.9
Cr3—O16—Cr192.5 (7)O11ix—N3—H3D117.4
O13—O16—Cr1128.8 (7)O25—N3—H3D36.7
O15—O16—Cr170.3 (5)C7—N3—H3E109.6
O8—O16—Cr181.3 (5)C2—N3—H3E118.6
C1xi—O16—Cr1102.6 (6)O21—N3—H3E130.6
O14—O16—Cr126.5 (3)O32v—N3—H3E60.6
O2—O16—Cr128.7 (3)O11ix—N3—H3E30.2
O11i—O16—Cr1157.4 (6)O25—N3—H3E89.3
O32ii—O16—Cr1106.9 (5)H3D—N3—H3E107.6
O5xi—O16—Cr163.9 (4)C5—N4—C4114 (2)
Cr3—O16—O7viii60.1 (6)C5—N4—O2109.6 (16)
O13—O16—O7viii43.9 (4)C4—N4—O2106.8 (15)
O15—O16—O7viii55.3 (5)C5—N4—O33x110.2 (16)
O8—O16—O7viii96.0 (6)C4—N4—O33x97.2 (13)
C1xi—O16—O7viii65.1 (6)O2—N4—O33x118.7 (9)
O14—O16—O7viii120.3 (6)C5—N4—O12ii99.0 (15)
O2—O16—O7viii131.1 (7)C4—N4—O12ii146.6 (16)
O11i—O16—O7viii47.4 (4)O2—N4—O12ii64.2 (6)
O32ii—O16—O7viii113.1 (5)O33x—N4—O12ii65.1 (6)
O5xi—O16—O7viii61.1 (4)C5—N4—H4D109.5
Cr1—O16—O7viii118.3 (5)C4—N4—H4D4.9
U2—OW17—O152.8 (4)O2—N4—H4D107.2
U2—OW17—O8ii128.7 (7)O33x—N4—H4D101.0
O1—OW17—O8ii159.9 (7)O12ii—N4—H4D151.3
U2—OW17—O10ii52.6 (4)C5—N4—H4E109.5
O1—OW17—O10ii104.8 (6)C4—N4—H4E107.0
O8ii—OW17—O10ii83.1 (6)O2—N4—H4E0.2
U2—OW17—O9100.6 (5)O33x—N4—H4E118.6
O1—OW17—O956.2 (5)O12ii—N4—H4E64.0
O8ii—OW17—O9107.6 (6)H4D—N4—H4E107.5
Symmetry codes: (i) x1/2, y+3/2, z; (ii) x+1/2, y+3/2, z; (iii) x, y1, z; (iv) x, y+1/2, z+1/2; (v) x, y1/2, z+1/2; (vi) x+1, y+1/2, z+1/2; (vii) x+1/2, y+5/2, z; (viii) x1/2, y+5/2, z; (ix) x+1, y1/2, z+1/2; (x) x+1/2, y+1/2, z; (xi) x, y+1, z; (xii) x1/2, y+1/2, z; (xiii) x1, y1, z; (xiv) x1, y, z; (xv) x+1, y+1, z.
 

Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds