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In the title dimeric structure, [K2(C16H23NO8)2{CrClO3}2], the two macrocyclic ligands are oriented head-to-head with the stacked nitro­benzene groups.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806026511/lh2118sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806026511/lh2118Isup2.hkl
Contains datablock I

CCDC reference: 618270

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.048
  • wR factor = 0.114
  • Data-to-parameter ratio = 13.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.29
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C16 H23 Cl1 Cr1 K1 N1 O11 Atom count from _chemical_formula_moiety:C16 H23 Cl1 Cr1 N1 O10
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: All authors made significant contribution in this work. The idea of synthesis belongs to Kamalov and Kotlyar. The synthesis was performed by Chuprin, Pluzhnik-Gladyr and Kiriyak. X-ray diffraction experiment was performed by Shishkina. The analysis of diffraction data was performed by Shishkin.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis RED (Oxford Diffraction, 2006); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXTL/PC (Sheldrick, 1998); program(s) used to refine structure: SHELXTL/PC; molecular graphics: XP (Siemens, 1998); software used to prepare material for publication: SHELXTL/PC.

bis[(18-nitro-2,3,5,6,8,9,11,12,14,15- decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine)potassium chlorochromate] top
Crystal data top
[K(C16H23NO8)][CrClO3]Z = 2
Mr = 531.91F(000) = 548
Triclinic, P1Dx = 1.619 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.778 (1) ÅCell parameters from 3015 reflections
b = 9.531 (1) Åθ = 3–34°
c = 13.678 (1) ŵ = 0.90 mm1
α = 100.959 (9)°T = 100 K
β = 98.728 (9)°Transparent, yellow
γ = 98.782 (9)°0.20 × 0.20 × 0.10 mm
V = 1090.8 (2) Å3
Data collection top
Oxford Xcalibur3
diffractometer
2363 reflections with I > 2σ(I)
Radiation source: Enhance (Mo) X-ray SourceRint = 0.039
Graphite monochromatorθmax = 25.0°, θmin = 2.9°
Detector resolution: 16.1827 pixels mm-1h = 1010
ω scansk = 1111
8636 measured reflectionsl = 1616
3715 independent reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.114H-atom parameters constrained
S = 0.89 w = 1/[σ2(Fo2) + (0.0655P)2]
where P = (Fo2 + 2Fc2)/3
3715 reflections(Δ/σ)max = 0.001
280 parametersΔρmax = 0.66 e Å3
0 restraintsΔρmin = 0.29 e Å3
Special details top

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

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
K10.63954 (11)0.80020 (10)0.73468 (7)0.0284 (2)
Cr10.87776 (8)1.14912 (7)0.76445 (5)0.0299 (2)
Cl10.99518 (14)1.16995 (13)0.63648 (9)0.0419 (3)
N10.5977 (5)0.5360 (4)1.1852 (3)0.0320 (8)
O10.7515 (3)0.8150 (3)0.9387 (2)0.0288 (7)
O20.8963 (3)0.6727 (3)0.7816 (2)0.0302 (7)
O30.7404 (3)0.6278 (3)0.5796 (2)0.0331 (7)
O40.5211 (3)0.8019 (3)0.5390 (2)0.0331 (7)
O50.3398 (3)0.8597 (3)0.6927 (2)0.0293 (7)
O60.4710 (3)0.8604 (3)0.8962 (2)0.0268 (6)
O70.4908 (4)0.4894 (3)1.2259 (2)0.0363 (7)
O80.7294 (4)0.5066 (3)1.2004 (2)0.0412 (8)
O90.9391 (4)1.0241 (3)0.8127 (2)0.0405 (8)
O100.9222 (3)1.3011 (3)0.8451 (2)0.0350 (7)
O110.6933 (3)1.1058 (3)0.7239 (2)0.0383 (8)
C10.4956 (5)0.7879 (4)0.9720 (3)0.0261 (9)
C20.3851 (5)0.7465 (4)1.0280 (3)0.0271 (9)
H20.28480.77281.01680.033*
C30.4197 (5)0.6669 (4)1.1002 (3)0.0280 (10)
H30.34390.63821.13880.034*
C40.5642 (5)0.6300 (4)1.1153 (3)0.0242 (9)
C50.6825 (5)0.6762 (4)1.0641 (3)0.0277 (10)
H50.78380.65271.07790.033*
C60.6471 (5)0.7571 (4)0.9929 (3)0.0253 (9)
C70.9091 (5)0.7894 (5)0.9535 (3)0.0321 (10)
H7B0.94240.78271.02470.039*
H7A0.98040.87180.94020.039*
C80.9204 (5)0.6493 (5)0.8828 (3)0.0326 (10)
H8B1.02500.62410.90030.039*
H8A0.83960.56840.88890.039*
C90.9010 (5)0.5493 (5)0.7069 (3)0.0357 (11)
H9B0.81240.46990.70430.043*
H9A1.00030.51400.72290.043*
C100.8895 (5)0.5938 (5)0.6072 (4)0.0421 (12)
H10B0.97190.67970.61250.050*
H10A0.90610.51360.55460.050*
C110.7231 (6)0.6831 (5)0.4895 (3)0.0389 (12)
H11B0.75250.61580.43400.047*
H11A0.79310.77890.50110.047*
C120.5578 (6)0.6983 (5)0.4609 (3)0.0376 (12)
H12B0.54270.73100.39620.045*
H12A0.48730.60330.45170.045*
C130.3624 (5)0.8183 (5)0.5186 (3)0.0390 (12)
H13B0.29220.72310.50920.047*
H13A0.34190.85440.45540.047*
C140.3309 (5)0.9231 (5)0.6047 (3)0.0351 (11)
H14B0.40921.01450.61920.042*
H14A0.22530.94630.58730.042*
C150.3098 (5)0.9542 (5)0.7770 (3)0.0317 (10)
H15B0.20600.98100.76010.038*
H15A0.39051.04420.79570.038*
C160.3126 (5)0.8795 (5)0.8637 (3)0.0285 (10)
H16B0.27680.93870.92040.034*
H16A0.24120.78370.84240.034*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
K10.0350 (6)0.0322 (5)0.0223 (5)0.0152 (4)0.0061 (4)0.0088 (4)
Cr10.0322 (4)0.0297 (4)0.0310 (4)0.0085 (3)0.0071 (3)0.0113 (3)
Cl10.0405 (7)0.0553 (8)0.0394 (7)0.0147 (6)0.0181 (5)0.0208 (6)
N10.042 (2)0.027 (2)0.026 (2)0.0074 (18)0.0064 (18)0.0032 (16)
O10.0302 (17)0.0358 (17)0.0263 (16)0.0127 (13)0.0088 (13)0.0135 (13)
O20.0349 (17)0.0263 (16)0.0322 (18)0.0125 (13)0.0092 (13)0.0054 (14)
O30.0391 (18)0.0373 (18)0.0264 (17)0.0092 (14)0.0117 (13)0.0096 (14)
O40.0413 (19)0.0338 (17)0.0256 (17)0.0091 (14)0.0034 (14)0.0104 (14)
O50.0392 (18)0.0266 (16)0.0239 (17)0.0124 (13)0.0028 (13)0.0077 (13)
O60.0274 (16)0.0292 (16)0.0250 (16)0.0081 (12)0.0030 (12)0.0084 (13)
O70.049 (2)0.0343 (18)0.0300 (18)0.0099 (15)0.0128 (15)0.0110 (14)
O80.036 (2)0.044 (2)0.047 (2)0.0130 (15)0.0005 (15)0.0209 (16)
O90.049 (2)0.0350 (18)0.043 (2)0.0116 (15)0.0126 (15)0.0136 (15)
O100.0396 (19)0.0289 (17)0.0394 (19)0.0076 (13)0.0081 (14)0.0130 (14)
O110.0365 (19)0.0447 (19)0.0336 (18)0.0075 (15)0.0059 (14)0.0085 (15)
C10.033 (3)0.020 (2)0.024 (2)0.0058 (18)0.0046 (19)0.0016 (18)
C20.027 (2)0.028 (2)0.026 (2)0.0062 (18)0.0061 (19)0.0043 (19)
C30.036 (3)0.022 (2)0.024 (2)0.0063 (19)0.0047 (19)0.0008 (18)
C40.040 (3)0.018 (2)0.013 (2)0.0052 (18)0.0000 (18)0.0008 (17)
C50.033 (3)0.025 (2)0.025 (2)0.0093 (19)0.0033 (19)0.0010 (18)
C60.034 (3)0.022 (2)0.019 (2)0.0041 (18)0.0035 (18)0.0049 (18)
C70.027 (3)0.044 (3)0.029 (3)0.010 (2)0.0056 (19)0.015 (2)
C80.029 (2)0.031 (3)0.039 (3)0.0077 (19)0.001 (2)0.014 (2)
C90.036 (3)0.035 (3)0.039 (3)0.014 (2)0.009 (2)0.007 (2)
C100.036 (3)0.046 (3)0.045 (3)0.010 (2)0.019 (2)0.000 (2)
C110.062 (3)0.031 (3)0.027 (3)0.004 (2)0.021 (2)0.007 (2)
C120.065 (4)0.030 (3)0.019 (2)0.005 (2)0.009 (2)0.010 (2)
C130.048 (3)0.043 (3)0.023 (3)0.003 (2)0.004 (2)0.012 (2)
C140.036 (3)0.037 (3)0.036 (3)0.012 (2)0.001 (2)0.018 (2)
C150.032 (3)0.030 (2)0.035 (3)0.0120 (19)0.004 (2)0.008 (2)
C160.026 (2)0.033 (2)0.028 (2)0.0117 (19)0.0072 (19)0.0023 (19)
Geometric parameters (Å, º) top
K1—O42.725 (3)C2—H20.9500
K1—O22.768 (3)C3—C41.363 (6)
K1—O32.769 (3)C3—H30.9500
K1—O52.773 (3)C4—C51.400 (6)
K1—O12.784 (3)C5—C61.381 (5)
K1—O62.858 (3)C5—H50.9500
K1—O112.914 (3)C7—C81.518 (6)
K1—O7i3.001 (3)C7—H7B0.9900
K1—O93.029 (3)C7—H7A0.9900
Cr1—O91.591 (3)C8—H8B0.9900
Cr1—O111.593 (3)C8—H8A0.9900
Cr1—O101.599 (3)C9—C101.497 (6)
Cr1—Cl12.1871 (13)C9—H9B0.9900
N1—O81.228 (4)C9—H9A0.9900
N1—O71.230 (4)C10—H10B0.9900
N1—C41.458 (5)C10—H10A0.9900
O1—C61.378 (5)C11—C121.481 (6)
O1—C71.432 (5)C11—H11B0.9900
O2—C91.415 (5)C11—H11A0.9900
O2—C81.433 (5)C12—H12B0.9900
O3—C101.410 (5)C12—H12A0.9900
O3—C111.427 (5)C13—C141.483 (6)
O4—C131.416 (5)C13—H13B0.9900
O4—C121.421 (5)C13—H13A0.9900
O5—C151.407 (5)C14—H14B0.9900
O5—C141.443 (5)C14—H14A0.9900
O6—C11.359 (5)C15—C161.494 (6)
O6—C161.444 (5)C15—H15B0.9900
O7—K1i3.001 (3)C15—H15A0.9900
C1—C21.381 (5)C16—H16B0.9900
C1—C61.404 (6)C16—H16A0.9900
C2—C31.381 (6)
O4—K1—O2121.00 (9)C4—C3—C2119.1 (4)
O4—K1—O360.97 (9)C4—C3—H3120.5
O2—K1—O361.06 (8)C2—C3—H3120.5
O4—K1—O562.31 (9)C3—C4—C5122.5 (4)
O2—K1—O5165.09 (9)C3—C4—N1119.5 (4)
O3—K1—O5117.09 (9)C5—C4—N1117.9 (4)
O4—K1—O1176.09 (9)C6—C5—C4117.8 (4)
O2—K1—O162.59 (8)C6—C5—H5121.1
O3—K1—O1122.85 (9)C4—C5—H5121.1
O5—K1—O1114.68 (8)O1—C6—C5125.0 (4)
O4—K1—O6122.98 (9)O1—C6—C1114.8 (3)
O2—K1—O6114.30 (8)C5—C6—C1120.2 (4)
O3—K1—O6156.13 (9)O1—C7—C8110.5 (3)
O5—K1—O660.67 (8)O1—C7—H7B109.6
O1—K1—O654.04 (8)C8—C7—H7B109.6
O4—K1—O1174.94 (9)O1—C7—H7A109.6
O2—K1—O11118.68 (9)C8—C7—H7A109.6
O3—K1—O11112.07 (9)H7B—C7—H7A108.1
O5—K1—O1176.11 (8)O2—C8—C7107.5 (3)
O1—K1—O11102.12 (9)O2—C8—H8B110.2
O6—K1—O1190.92 (8)C7—C8—H8B110.2
O4—K1—O7i107.94 (9)O2—C8—H8A110.2
O2—K1—O7i74.30 (8)C7—C8—H8A110.2
O3—K1—O7i82.52 (8)H8B—C8—H8A108.5
O5—K1—O7i90.82 (9)O2—C9—C10107.6 (3)
O1—K1—O7i74.14 (8)O2—C9—H9B110.2
O6—K1—O7i73.89 (8)C10—C9—H9B110.2
O11—K1—O7i163.63 (9)O2—C9—H9A110.2
O4—K1—O9110.59 (9)C10—C9—H9A110.2
O2—K1—O968.04 (8)H9B—C9—H9A108.5
O3—K1—O998.04 (9)O3—C10—C9109.7 (3)
O5—K1—O9125.83 (9)O3—C10—H10B109.7
O1—K1—O968.78 (8)C9—C10—H10B109.7
O6—K1—O9101.40 (8)O3—C10—H10A109.7
O11—K1—O952.06 (8)C9—C10—H10A109.7
O7i—K1—O9135.93 (9)H10B—C10—H10A108.2
O9—Cr1—O11110.15 (16)O3—C11—C12109.1 (3)
O9—Cr1—O10110.65 (16)O3—C11—H11B109.9
O11—Cr1—O10111.07 (15)C12—C11—H11B109.9
O9—Cr1—Cl1107.50 (12)O3—C11—H11A109.9
O11—Cr1—Cl1108.87 (11)C12—C11—H11A109.9
O10—Cr1—Cl1108.51 (11)H11B—C11—H11A108.3
O8—N1—O7123.2 (4)O4—C12—C11108.8 (4)
O8—N1—C4119.1 (4)O4—C12—H12B109.9
O7—N1—C4117.7 (4)C11—C12—H12B109.9
C6—O1—C7119.5 (3)O4—C12—H12A109.9
C6—O1—K1117.0 (2)C11—C12—H12A109.9
C7—O1—K1110.6 (2)H12B—C12—H12A108.3
C9—O2—C8113.7 (3)O4—C13—C14109.1 (3)
C9—O2—K1113.0 (2)O4—C13—H13B109.9
C8—O2—K1113.9 (2)C14—C13—H13B109.9
C10—O3—C11113.7 (3)O4—C13—H13A109.9
C10—O3—K1114.5 (2)C14—C13—H13A109.9
C11—O3—K1111.5 (2)H13B—C13—H13A108.3
C13—O4—C12112.0 (3)O5—C14—C13109.0 (3)
C13—O4—K1116.1 (2)O5—C14—H14B109.9
C12—O4—K1117.9 (2)C13—C14—H14B109.9
C15—O5—C14111.6 (3)O5—C14—H14A109.9
C15—O5—K1110.0 (2)C13—C14—H14A109.9
C14—O5—K1107.4 (2)H14B—C14—H14A108.3
C1—O6—C16117.3 (3)O5—C15—C16109.0 (3)
C1—O6—K1116.5 (2)O5—C15—H15B109.9
C16—O6—K1114.0 (2)C16—C15—H15B109.9
N1—O7—K1i135.6 (2)O5—C15—H15A109.9
Cr1—O9—K195.90 (13)C16—C15—H15A109.9
Cr1—O11—K1100.39 (13)H15B—C15—H15A108.3
O6—C1—C2124.9 (4)O6—C16—C15108.7 (3)
O6—C1—C6115.2 (3)O6—C16—H16B109.9
C2—C1—C6119.9 (4)C15—C16—H16B109.9
C1—C2—C3120.3 (4)O6—C16—H16A109.9
C1—C2—H2119.9C15—C16—H16A109.9
C3—C2—H2119.9H16B—C16—H16A108.3
O2—K1—O1—C6122.5 (3)O9—K1—O6—C189.3 (3)
O3—K1—O1—C6112.1 (2)O4—K1—O6—C165.0 (3)
O5—K1—O1—C641.2 (3)O2—K1—O6—C16160.1 (2)
O6—K1—O1—C639.1 (2)O3—K1—O6—C1687.1 (3)
O11—K1—O1—C6121.3 (2)O5—K1—O6—C164.1 (2)
O7i—K1—O1—C642.3 (2)O1—K1—O6—C16178.0 (3)
O9—K1—O1—C6162.0 (3)O11—K1—O6—C1677.6 (2)
O2—K1—O1—C719.0 (2)O7i—K1—O6—C1696.2 (2)
O3—K1—O1—C729.4 (3)O9—K1—O6—C16129.0 (2)
O5—K1—O1—C7177.3 (2)O8—N1—O7—K1i45.1 (6)
O6—K1—O1—C7179.4 (3)C4—N1—O7—K1i134.6 (3)
O11—K1—O1—C797.2 (2)O11—Cr1—O9—K111.39 (16)
O7i—K1—O1—C799.2 (2)O10—Cr1—O9—K1134.58 (13)
O9—K1—O1—C756.5 (2)Cl1—Cr1—O9—K1107.10 (8)
O4—K1—O2—C933.9 (3)O4—K1—O9—Cr142.46 (15)
O3—K1—O2—C922.2 (2)O2—K1—O9—Cr1158.67 (15)
O5—K1—O2—C964.7 (4)O3—K1—O9—Cr1104.39 (13)
O1—K1—O2—C9147.9 (3)O5—K1—O9—Cr127.61 (18)
O6—K1—O2—C9131.6 (2)O1—K1—O9—Cr1133.41 (15)
O11—K1—O2—C9122.9 (2)O6—K1—O9—Cr189.53 (13)
O7i—K1—O2—C967.9 (2)O11—K1—O9—Cr17.38 (11)
O9—K1—O2—C9135.4 (3)O7i—K1—O9—Cr1168.08 (11)
O4—K1—O2—C8165.6 (2)O9—Cr1—O11—K111.98 (17)
O3—K1—O2—C8153.9 (3)O10—Cr1—O11—K1134.92 (12)
O5—K1—O2—C867.0 (4)Cl1—Cr1—O11—K1105.66 (9)
O1—K1—O2—C816.2 (2)O4—K1—O11—Cr1124.74 (14)
O6—K1—O2—C80.1 (3)O2—K1—O11—Cr17.31 (17)
O11—K1—O2—C8105.3 (2)O3—K1—O11—Cr175.38 (15)
O7i—K1—O2—C863.8 (2)O5—K1—O11—Cr1170.67 (15)
O9—K1—O2—C892.8 (2)O1—K1—O11—Cr157.91 (14)
O4—K1—O3—C10155.5 (3)O6—K1—O11—Cr1111.24 (13)
O2—K1—O3—C1013.0 (3)O7i—K1—O11—Cr1132.8 (3)
O5—K1—O3—C10176.2 (3)O9—K1—O11—Cr17.46 (11)
O1—K1—O3—C1023.5 (3)C16—O6—C1—C28.0 (6)
O6—K1—O3—C1098.0 (3)K1—O6—C1—C2148.4 (3)
O11—K1—O3—C1098.5 (3)C16—O6—C1—C6172.8 (3)
O7i—K1—O3—C1089.2 (3)K1—O6—C1—C632.4 (4)
O9—K1—O3—C1046.3 (3)O6—C1—C2—C3176.9 (4)
O4—K1—O3—C1124.6 (3)C6—C1—C2—C34.0 (6)
O2—K1—O3—C11143.9 (3)C1—C2—C3—C40.0 (6)
O5—K1—O3—C1152.9 (3)C2—C3—C4—C53.4 (6)
O1—K1—O3—C11154.4 (3)C2—C3—C4—N1174.9 (4)
O6—K1—O3—C11131.1 (3)O8—N1—C4—C3178.1 (4)
O11—K1—O3—C1132.3 (3)O7—N1—C4—C32.2 (5)
O7i—K1—O3—C11140.0 (3)O8—N1—C4—C53.5 (5)
O9—K1—O3—C1184.5 (3)O7—N1—C4—C5176.2 (3)
O2—K1—O4—C13157.3 (2)C3—C4—C5—C62.7 (6)
O3—K1—O4—C13145.5 (3)N1—C4—C5—C6175.7 (3)
O5—K1—O4—C136.0 (2)C7—O1—C6—C51.5 (6)
O6—K1—O4—C136.9 (3)K1—O1—C6—C5139.4 (3)
O11—K1—O4—C1388.0 (3)C7—O1—C6—C1179.5 (3)
O7i—K1—O4—C1375.2 (3)K1—O1—C6—C141.6 (4)
O9—K1—O4—C13126.6 (3)C4—C5—C6—O1177.5 (4)
O2—K1—O4—C1220.2 (3)C4—C5—C6—C11.4 (6)
O3—K1—O4—C128.5 (3)O6—C1—C6—O14.9 (5)
O5—K1—O4—C12143.1 (3)C2—C1—C6—O1174.3 (3)
O6—K1—O4—C12144.0 (3)O6—C1—C6—C5176.1 (3)
O11—K1—O4—C12134.9 (3)C2—C1—C6—C54.7 (6)
O7i—K1—O4—C1261.9 (3)C6—O1—C7—C888.2 (4)
O9—K1—O4—C1296.3 (3)K1—O1—C7—C852.2 (4)
O4—K1—O5—C15149.0 (3)C9—O2—C8—C7178.9 (3)
O2—K1—O5—C15104.1 (4)K1—O2—C8—C747.5 (4)
O3—K1—O5—C15176.9 (2)O1—C7—C8—O268.5 (4)
O1—K1—O5—C1528.2 (2)C8—O2—C9—C10174.7 (3)
O6—K1—O5—C1530.1 (2)K1—O2—C9—C1053.5 (4)
O11—K1—O5—C1569.0 (2)C11—O3—C10—C9175.1 (4)
O7i—K1—O5—C15101.1 (2)K1—O3—C10—C945.3 (4)
O9—K1—O5—C1552.6 (3)O2—C9—C10—O366.6 (5)
O4—K1—O5—C1427.3 (2)C10—O3—C11—C12173.3 (4)
O2—K1—O5—C14134.2 (4)K1—O3—C11—C1255.4 (4)
O3—K1—O5—C1455.2 (3)C13—O4—C12—C11177.8 (3)
O1—K1—O5—C14149.9 (2)K1—O4—C12—C1139.1 (4)
O6—K1—O5—C14151.8 (3)O3—C11—C12—O463.0 (4)
O11—K1—O5—C1452.7 (2)C12—O4—C13—C14177.8 (3)
O7i—K1—O5—C14137.2 (2)K1—O4—C13—C1438.3 (4)
O9—K1—O5—C1469.1 (3)C15—O5—C14—C13179.6 (4)
O4—K1—O6—C1146.7 (2)K1—O5—C14—C1359.7 (4)
O2—K1—O6—C118.5 (3)O4—C13—C14—O567.5 (4)
O3—K1—O6—C154.6 (3)C14—O5—C15—C16177.1 (3)
O5—K1—O6—C1145.8 (3)K1—O5—C15—C1663.7 (3)
O1—K1—O6—C136.4 (2)C1—O6—C16—C15177.1 (3)
O11—K1—O6—C1140.7 (3)K1—O6—C16—C1535.7 (4)
O7i—K1—O6—C145.5 (2)O5—C15—C16—O667.7 (4)
Symmetry code: (i) x+1, y+1, z+2.
 

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