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The title compound, [Cu2(C10H8N2O)4(β-Mo8O26)]n, is a one-dimensional coordination polymer containing octa­hedrally coordinated CuII atoms, each of which is bound to three O atoms and two N atoms from three distinct regioselectively oxidized 2,4′-bipyridinium ligands and one O atom from a centrosymmetric β-octa­molybdate anion. The 4′-position N atoms within the ligands, as quaternary N atoms, are uncoordinated. [Cu2(2′-O–2,4′-bpyH+)4]4+ dimeric cations are linked through exobidentate β-octa­molybdate anions into polymeric chains running along the [011] direction. N—H...O and C—H...O inter­actions connect adjacent chains into a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807009282/gk2058sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807009282/gk2058Isup2.hkl
Contains datablock I

CCDC reference: 267715

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.013 Å
  • R factor = 0.047
  • wR factor = 0.132
  • Data-to-parameter ratio = 20.9

checkCIF/PLATON results

No syntax errors found



Alert level C 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 ............ 2.00 Ratio PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 200 Deg. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 13
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: CrystalMaker (Palmer, 2005); software used to prepare material for publication: SHELXL97.

poly[(µ-β-octamolybdato-κ2O:O)bis[µ-4-(2-pyridyl)pyridinium-3-olato- κ3N,O:O]bis[4-(2-pyridyl)pyridinium-3-olato-κ2N:O]dicopper(II)] top
Crystal data top
[Cu2Mo8O26(C10H8N2O)4]Z = 1
Mr = 1999.34F(000) = 962
Triclinic, P1Dx = 2.668 Mg m3
a = 9.9620 (13) ÅMo Kα radiation, λ = 0.71073 Å
b = 10.1592 (13) ÅCell parameters from 15331 reflections
c = 13.7049 (17) Åθ = 1.6–28.3°
α = 100.607 (2)°µ = 2.89 mm1
β = 107.197 (2)°T = 173 K
γ = 102.838 (2)°Block, brown
V = 1244.6 (3) Å30.40 × 0.12 × 0.10 mm
Data collection top
Bruker SMART 1K
diffractometer
5925 independent reflections
Radiation source: fine-focus sealed tube3211 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.082
ω scansθmax = 28.3°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1313
Tmin = 0.475, Tmax = 0.749k = 1313
15331 measured reflectionsl = 1817
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.047H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.132 w = 1/[σ2(Fo2) + (0.0592P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.95(Δ/σ)max < 0.001
5925 reflectionsΔρmax = 1.24 e Å3
284 parametersΔρmin = 1.15 e Å3
2 restraintsExtinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0046 (4)
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
Cu10.42651 (11)0.13624 (11)0.03034 (8)0.0171 (3)
Mo10.42714 (8)0.40068 (8)0.27634 (5)0.01357 (19)
Mo20.68594 (8)0.52944 (7)0.50216 (5)0.01222 (19)
Mo30.42297 (8)0.19768 (8)0.45350 (6)0.01412 (19)
Mo40.30653 (8)0.67085 (8)0.31835 (6)0.0158 (2)
O10.5343 (6)0.0341 (6)0.1130 (4)0.0138 (13)
O20.3216 (6)0.2410 (6)0.0491 (5)0.0227 (14)
O30.5479 (6)0.4936 (6)0.2315 (4)0.0201 (14)
O40.3051 (6)0.3141 (5)0.3881 (4)0.0122 (12)
O50.3585 (6)0.2381 (6)0.1884 (4)0.0184 (13)
O60.2691 (6)0.4784 (6)0.2415 (4)0.0184 (14)
O70.5721 (6)0.3578 (6)0.3931 (4)0.0148 (13)
O80.3925 (6)0.0723 (6)0.3435 (4)0.0194 (14)
O90.7973 (6)0.6136 (6)0.4453 (4)0.0173 (13)
O100.7979 (6)0.4555 (6)0.5854 (4)0.0141 (13)
O110.3074 (6)0.1244 (6)0.5128 (4)0.0196 (14)
O120.6084 (6)0.1991 (6)0.5428 (4)0.0186 (14)
O130.4184 (7)0.7472 (6)0.2576 (5)0.0282 (16)
O140.4879 (6)0.5801 (6)0.4271 (4)0.0127 (12)
O150.1447 (7)0.7040 (6)0.2682 (5)0.0250 (15)
N10.2337 (8)0.0098 (7)0.0080 (5)0.0180 (8)
N20.1295 (8)0.1988 (8)0.3212 (6)0.0213 (8)
H2N0.161 (8)0.248 (7)0.362 (5)0.026*
N30.6166 (8)0.2841 (7)0.0642 (6)0.0207 (8)
N40.7357 (8)0.0963 (8)0.3858 (6)0.0168 (8)
H4N0.748 (9)0.060 (8)0.441 (4)0.020*
C10.2229 (9)0.0815 (9)0.0651 (7)0.0180 (8)
H10.30700.06500.12630.022*
C20.0918 (9)0.1785 (9)0.0529 (7)0.0180 (8)
H20.08560.22520.10620.022*
C30.0297 (9)0.2061 (9)0.0384 (6)0.0180 (8)
H30.11950.27300.04880.022*
C40.0183 (9)0.1349 (9)0.1138 (7)0.0180 (8)
H40.10020.15370.17680.022*
C50.1125 (9)0.0363 (9)0.0973 (7)0.0180 (8)
C60.1216 (10)0.0481 (10)0.1743 (7)0.0213 (8)
C70.2257 (10)0.1780 (10)0.1425 (7)0.0213 (8)
C80.2260 (10)0.2533 (10)0.2218 (7)0.0213 (8)
H80.29540.34290.20340.026*
C90.0224 (10)0.0015 (10)0.2775 (7)0.0213 (8)
H90.04940.09030.29870.026*
C100.0265 (10)0.0763 (9)0.3499 (7)0.0213 (8)
H100.04390.04250.41980.026*
C110.6258 (10)0.3562 (9)0.0102 (7)0.0207 (8)
H110.54080.33700.07120.025*
C120.7493 (9)0.4530 (9)0.0010 (7)0.0207 (8)
H120.74950.49970.05500.025*
C130.8757 (10)0.4843 (9)0.0865 (7)0.0207 (8)
H130.96320.55280.09420.025*
C140.8701 (10)0.4119 (9)0.1630 (7)0.0207 (8)
H140.95510.42980.22370.025*
C150.7407 (10)0.3137 (9)0.1506 (7)0.0207 (8)
C160.7361 (9)0.2353 (9)0.2327 (7)0.0168 (8)
C170.6336 (9)0.1020 (9)0.2060 (7)0.0168 (8)
C180.6394 (9)0.0348 (9)0.2880 (6)0.0168 (8)
H180.57360.05580.27300.020*
C190.8346 (9)0.2946 (9)0.3366 (6)0.0168 (8)
H190.90300.38480.35500.020*
C200.8331 (9)0.2224 (9)0.4130 (7)0.0168 (8)
H200.90040.26210.48370.020*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0174 (6)0.0191 (6)0.0144 (5)0.0031 (4)0.0033 (4)0.0099 (4)
Mo10.0166 (4)0.0147 (4)0.0084 (4)0.0023 (3)0.0036 (3)0.0048 (3)
Mo20.0130 (4)0.0139 (4)0.0092 (4)0.0028 (3)0.0026 (3)0.0051 (3)
Mo30.0167 (4)0.0132 (4)0.0117 (4)0.0030 (3)0.0034 (3)0.0059 (3)
Mo40.0212 (4)0.0147 (4)0.0103 (4)0.0037 (3)0.0028 (3)0.0071 (3)
O10.014 (3)0.016 (3)0.008 (3)0.001 (2)0.000 (2)0.005 (2)
O20.023 (4)0.022 (4)0.023 (4)0.007 (3)0.005 (3)0.012 (3)
O30.018 (3)0.027 (4)0.016 (3)0.003 (3)0.008 (3)0.010 (3)
O40.014 (3)0.010 (3)0.009 (3)0.002 (2)0.002 (2)0.004 (2)
O50.020 (3)0.017 (3)0.013 (3)0.002 (3)0.000 (3)0.002 (3)
O60.022 (3)0.022 (4)0.007 (3)0.002 (3)0.002 (3)0.004 (3)
O70.015 (3)0.013 (3)0.013 (3)0.001 (2)0.004 (3)0.002 (2)
O80.024 (3)0.021 (3)0.011 (3)0.006 (3)0.003 (3)0.004 (3)
O90.020 (3)0.021 (3)0.011 (3)0.005 (3)0.004 (3)0.009 (3)
O100.018 (3)0.017 (3)0.012 (3)0.009 (3)0.007 (2)0.006 (3)
O110.022 (3)0.019 (3)0.022 (3)0.006 (3)0.012 (3)0.008 (3)
O120.027 (4)0.014 (3)0.014 (3)0.005 (3)0.006 (3)0.005 (3)
O130.044 (4)0.020 (4)0.015 (3)0.003 (3)0.011 (3)0.006 (3)
O140.014 (3)0.014 (3)0.011 (3)0.006 (2)0.002 (2)0.006 (2)
O150.028 (4)0.024 (4)0.018 (3)0.009 (3)0.000 (3)0.005 (3)
N10.0198 (18)0.018 (2)0.0165 (17)0.0045 (15)0.0055 (15)0.0081 (15)
N20.023 (2)0.025 (2)0.0210 (19)0.0092 (16)0.0091 (16)0.0139 (17)
N30.0235 (19)0.021 (2)0.0170 (18)0.0034 (16)0.0061 (15)0.0090 (15)
N40.0172 (18)0.021 (2)0.0145 (17)0.0060 (15)0.0071 (15)0.0076 (15)
C10.0198 (18)0.018 (2)0.0165 (17)0.0045 (15)0.0055 (15)0.0081 (15)
C20.0198 (18)0.018 (2)0.0165 (17)0.0045 (15)0.0055 (15)0.0081 (15)
C30.0198 (18)0.018 (2)0.0165 (17)0.0045 (15)0.0055 (15)0.0081 (15)
C40.0198 (18)0.018 (2)0.0165 (17)0.0045 (15)0.0055 (15)0.0081 (15)
C50.0198 (18)0.018 (2)0.0165 (17)0.0045 (15)0.0055 (15)0.0081 (15)
C60.023 (2)0.025 (2)0.0210 (19)0.0092 (16)0.0091 (16)0.0139 (17)
C70.023 (2)0.025 (2)0.0210 (19)0.0092 (16)0.0091 (16)0.0139 (17)
C80.023 (2)0.025 (2)0.0210 (19)0.0092 (16)0.0091 (16)0.0139 (17)
C90.023 (2)0.025 (2)0.0210 (19)0.0092 (16)0.0091 (16)0.0139 (17)
C100.023 (2)0.025 (2)0.0210 (19)0.0092 (16)0.0091 (16)0.0139 (17)
C110.0235 (19)0.021 (2)0.0170 (18)0.0034 (16)0.0061 (15)0.0090 (15)
C120.0235 (19)0.021 (2)0.0170 (18)0.0034 (16)0.0061 (15)0.0090 (15)
C130.0235 (19)0.021 (2)0.0170 (18)0.0034 (16)0.0061 (15)0.0090 (15)
C140.0235 (19)0.021 (2)0.0170 (18)0.0034 (16)0.0061 (15)0.0090 (15)
C150.0235 (19)0.021 (2)0.0170 (18)0.0034 (16)0.0061 (15)0.0090 (15)
C160.0172 (18)0.021 (2)0.0145 (17)0.0060 (15)0.0071 (15)0.0076 (15)
C170.0172 (18)0.021 (2)0.0145 (17)0.0060 (15)0.0071 (15)0.0076 (15)
C180.0172 (18)0.021 (2)0.0145 (17)0.0060 (15)0.0071 (15)0.0076 (15)
C190.0172 (18)0.021 (2)0.0145 (17)0.0060 (15)0.0071 (15)0.0076 (15)
C200.0172 (18)0.021 (2)0.0145 (17)0.0060 (15)0.0071 (15)0.0076 (15)
Geometric parameters (Å, º) top
Cu1—O21.912 (6)N3—C151.364 (11)
Cu1—O11.930 (5)N3—C111.371 (10)
Cu1—N12.004 (7)N4—C181.332 (10)
Cu1—N32.005 (7)N4—C201.334 (10)
Cu1—O1i2.551 (5)N4—H4N0.89 (6)
Cu1—O52.564 (6)C1—C21.394 (11)
Mo1—O31.692 (5)C1—H10.9500
Mo1—O51.710 (5)C2—C31.391 (11)
Mo1—O61.892 (6)C2—H20.9500
Mo1—O72.002 (6)C3—C41.382 (11)
Mo1—O142.311 (5)C3—H30.9500
Mo1—O42.391 (5)C4—C51.384 (11)
Mo2—O91.705 (5)C4—H40.9500
Mo2—O101.745 (5)C5—C61.488 (11)
Mo2—O71.928 (5)C6—C71.385 (12)
Mo2—O4ii1.943 (5)C6—C91.385 (12)
Mo2—O142.159 (5)C7—C81.439 (11)
Mo2—O14ii2.390 (5)C8—H80.9500
Mo3—O81.685 (6)C9—C101.382 (11)
Mo3—O111.713 (5)C9—H90.9500
Mo3—O121.885 (6)C10—H100.9500
Mo3—O41.992 (5)C11—C121.350 (11)
Mo3—O14ii2.335 (5)C11—H110.9500
Mo3—O72.385 (5)C12—C131.383 (12)
Mo4—O151.690 (6)C12—H120.9500
Mo4—O131.714 (6)C13—C141.395 (11)
Mo4—O12ii1.926 (6)C13—H130.9500
Mo4—O61.938 (6)C14—C151.387 (11)
Mo4—O10ii2.305 (5)C14—H140.9500
Mo4—O142.447 (5)C15—C161.499 (11)
O1—C171.306 (9)C16—C191.395 (11)
O2—C71.290 (10)C16—C171.411 (11)
N1—C11.357 (10)C17—C181.412 (11)
N1—C51.375 (10)C18—H180.9500
N2—C101.330 (11)C19—C201.387 (11)
N2—C81.341 (11)C19—H190.9500
N2—H2N0.89 (7)C20—H200.9500
O2—Cu1—O1178.8 (3)Mo3—O4—Mo1104.2 (2)
O2—Cu1—N188.0 (3)Mo1—O5—Cu1130.8 (3)
O1—Cu1—N192.8 (3)Mo1—O6—Mo4116.5 (3)
O2—Cu1—N390.3 (3)Mo2—O7—Mo1108.9 (3)
O1—Cu1—N388.9 (3)Mo2—O7—Mo3112.2 (2)
N1—Cu1—N3178.1 (3)Mo1—O7—Mo3104.1 (2)
O2—Cu1—O1i102.4 (2)Mo2—O10—Mo4ii116.9 (3)
O1—Cu1—O1i78.6 (2)Mo3—O12—Mo4ii118.3 (3)
N1—Cu1—O1i84.6 (2)Mo2—O14—Mo191.3 (2)
N3—Cu1—O1i94.9 (2)Mo2—O14—Mo3ii91.26 (19)
O2—Cu1—O589.0 (2)Mo1—O14—Mo3ii161.8 (2)
O1—Cu1—O590.2 (2)Mo2—O14—Mo2ii104.5 (2)
N1—Cu1—O582.6 (2)Mo1—O14—Mo2ii97.91 (19)
N3—Cu1—O598.3 (2)Mo3ii—O14—Mo2ii98.85 (19)
O1i—Cu1—O5162.5 (2)Mo2—O14—Mo4164.0 (3)
O3—Mo1—O5104.6 (3)Mo1—O14—Mo486.31 (17)
O3—Mo1—O6102.3 (3)Mo3ii—O14—Mo486.29 (18)
O5—Mo1—O6103.2 (3)Mo2ii—O14—Mo491.46 (18)
O3—Mo1—O798.1 (2)C1—N1—C5118.8 (7)
O5—Mo1—O798.5 (2)C1—N1—Cu1115.5 (6)
O6—Mo1—O7145.2 (2)C5—N1—Cu1125.6 (5)
O3—Mo1—O1493.1 (2)C10—N2—C8121.9 (8)
O5—Mo1—O14161.5 (2)C10—N2—H2N129 (5)
O6—Mo1—O1477.6 (2)C8—N2—H2N108 (5)
O7—Mo1—O1473.4 (2)C15—N3—C11116.8 (7)
O3—Mo1—O4163.3 (2)C15—N3—Cu1126.2 (6)
O5—Mo1—O489.9 (2)C11—N3—Cu1116.8 (6)
O6—Mo1—O481.9 (2)C18—N4—C20123.2 (7)
O7—Mo1—O471.2 (2)C18—N4—H4N127 (5)
O14—Mo1—O471.81 (18)C20—N4—H4N110 (5)
O9—Mo2—O10104.1 (3)N1—C1—C2121.8 (8)
O9—Mo2—O7102.7 (2)N1—C1—H1119.1
O10—Mo2—O796.5 (2)C2—C1—H1119.1
O9—Mo2—O4ii100.5 (2)C3—C2—C1119.0 (8)
O10—Mo2—O4ii96.9 (2)C3—C2—H2120.5
O7—Mo2—O4ii149.3 (2)C1—C2—H2120.5
O9—Mo2—O1499.1 (2)C4—C3—C2119.3 (8)
O10—Mo2—O14156.8 (2)C4—C3—H3120.4
O7—Mo2—O1478.4 (2)C2—C3—H3120.4
O4ii—Mo2—O1478.4 (2)C3—C4—C5120.0 (8)
O9—Mo2—O14ii174.6 (2)C3—C4—H4120.0
O10—Mo2—O14ii81.3 (2)C5—C4—H4120.0
O7—Mo2—O14ii76.6 (2)N1—C5—C4121.1 (8)
O4ii—Mo2—O14ii78.3 (2)N1—C5—C6118.8 (7)
O14—Mo2—O14ii75.5 (2)C4—C5—C6120.0 (8)
O9—Mo2—Mo3ii89.29 (19)C7—C6—C9119.9 (8)
O10—Mo2—Mo3ii132.64 (18)C7—C6—C5120.3 (8)
O7—Mo2—Mo3ii124.94 (17)C9—C6—C5119.7 (8)
O4ii—Mo2—Mo3ii35.70 (16)O2—C7—C6127.5 (8)
O14—Mo2—Mo3ii46.57 (14)O2—C7—C8115.8 (8)
O14ii—Mo2—Mo3ii86.77 (13)C6—C7—C8116.7 (8)
O8—Mo3—O11105.3 (3)N2—C8—C7120.9 (8)
O8—Mo3—O12102.3 (3)N2—C8—H8119.6
O11—Mo3—O12102.4 (3)C7—C8—H8119.6
O8—Mo3—O499.2 (2)C10—C9—C6120.8 (9)
O11—Mo3—O498.0 (2)C10—C9—H9119.6
O12—Mo3—O4145.1 (2)C6—C9—H9119.6
O8—Mo3—O14ii158.3 (2)N2—C10—C9119.7 (9)
O11—Mo3—O14ii96.0 (2)N2—C10—H10120.2
O12—Mo3—O14ii76.6 (2)C9—C10—H10120.2
O4—Mo3—O14ii73.3 (2)C12—C11—N3123.4 (8)
O8—Mo3—O788.6 (2)C12—C11—H11118.3
O11—Mo3—O7164.0 (2)N3—C11—H11118.3
O12—Mo3—O781.9 (2)C11—C12—C13120.3 (8)
O4—Mo3—O771.4 (2)C11—C12—H12119.8
O14ii—Mo3—O769.79 (18)C13—C12—H12119.8
O8—Mo3—Mo2ii133.9 (2)C12—C13—C14117.6 (8)
O11—Mo3—Mo2ii86.41 (19)C12—C13—H13121.2
O12—Mo3—Mo2ii118.79 (17)C14—C13—H13121.2
O4—Mo3—Mo2ii34.70 (15)C15—C14—C13120.2 (8)
O14ii—Mo3—Mo2ii42.17 (13)C15—C14—H14119.9
O7—Mo3—Mo2ii78.11 (13)C13—C14—H14119.9
O15—Mo4—O13105.8 (3)N3—C15—C14121.7 (8)
O15—Mo4—O12ii102.3 (3)N3—C15—C16118.5 (7)
O13—Mo4—O12ii100.0 (3)C14—C15—C16119.8 (8)
O15—Mo4—O6103.5 (3)C19—C16—C17119.7 (8)
O13—Mo4—O696.9 (3)C19—C16—C15119.6 (8)
O12ii—Mo4—O6143.8 (2)C17—C16—C15120.7 (8)
O15—Mo4—O10ii88.1 (2)O1—C17—C16126.7 (7)
O13—Mo4—O10ii165.9 (3)O1—C17—C18116.6 (7)
O12ii—Mo4—O10ii78.8 (2)C16—C17—C18116.7 (8)
O6—Mo4—O10ii77.1 (2)N4—C18—C17121.1 (8)
O15—Mo4—O14158.4 (2)N4—C18—H18119.5
O13—Mo4—O1495.8 (3)C17—C18—H18119.5
O12ii—Mo4—O1473.2 (2)C20—C19—C16120.2 (8)
O6—Mo4—O1473.4 (2)C20—C19—H19119.9
O10ii—Mo4—O1470.29 (18)C16—C19—H19119.9
C17—O1—Cu1118.9 (5)N4—C20—C19119.0 (8)
C7—O2—Cu1119.3 (6)N4—C20—H20120.5
Mo2ii—O4—Mo3109.6 (2)C19—C20—H20120.5
Mo2ii—O4—Mo1109.4 (2)
N1—Cu1—O1—C17135.0 (6)O4ii—Mo2—O14—Mo499.6 (10)
N3—Cu1—O1—C1745.9 (6)O14ii—Mo2—O14—Mo4179.6 (11)
O1i—Cu1—O1—C17141.1 (6)Mo3ii—Mo2—O14—Mo480.9 (9)
O5—Cu1—O1—C1752.4 (5)O3—Mo1—O14—Mo278.3 (2)
N1—Cu1—O2—C747.0 (6)O5—Mo1—O14—Mo285.3 (7)
N3—Cu1—O2—C7132.1 (6)O6—Mo1—O14—Mo2179.8 (2)
O1i—Cu1—O2—C737.0 (6)O7—Mo1—O14—Mo219.24 (19)
O5—Cu1—O2—C7129.6 (6)O4—Mo1—O14—Mo294.4 (2)
O8—Mo3—O4—Mo2ii178.7 (3)O3—Mo1—O14—Mo3ii19.7 (8)
O11—Mo3—O4—Mo2ii71.8 (3)O5—Mo1—O14—Mo3ii176.7 (7)
O12—Mo3—O4—Mo2ii53.7 (5)O6—Mo1—O14—Mo3ii82.1 (8)
O14ii—Mo3—O4—Mo2ii22.2 (2)O7—Mo1—O14—Mo3ii117.3 (8)
O7—Mo3—O4—Mo2ii95.9 (3)O4—Mo1—O14—Mo3ii167.6 (9)
O8—Mo3—O4—Mo164.3 (3)O3—Mo1—O14—Mo2ii176.8 (2)
O11—Mo3—O4—Mo1171.3 (2)O5—Mo1—O14—Mo2ii19.5 (8)
O12—Mo3—O4—Mo163.2 (4)O6—Mo1—O14—Mo2ii75.0 (2)
O14ii—Mo3—O4—Mo194.8 (2)O7—Mo1—O14—Mo2ii85.6 (2)
O7—Mo3—O4—Mo121.03 (18)O4—Mo1—O14—Mo2ii10.49 (17)
Mo2ii—Mo3—O4—Mo1116.9 (3)O3—Mo1—O14—Mo485.9 (2)
O3—Mo1—O4—Mo2ii39.9 (10)O5—Mo1—O14—Mo4110.5 (7)
O5—Mo1—O4—Mo2ii169.3 (3)O6—Mo1—O14—Mo415.99 (19)
O6—Mo1—O4—Mo2ii65.9 (3)O7—Mo1—O14—Mo4176.6 (2)
O7—Mo1—O4—Mo2ii91.7 (3)O4—Mo1—O14—Mo4101.46 (19)
O14—Mo1—O4—Mo2ii13.6 (2)O15—Mo4—O14—Mo2177.4 (8)
O3—Mo1—O4—Mo377.2 (9)O13—Mo4—O14—Mo22.2 (10)
O5—Mo1—O4—Mo373.6 (3)O12ii—Mo4—O14—Mo296.6 (10)
O6—Mo1—O4—Mo3177.0 (3)O6—Mo4—O14—Mo297.7 (10)
O7—Mo1—O4—Mo325.4 (2)O10ii—Mo4—O14—Mo2179.6 (10)
O14—Mo1—O4—Mo3103.5 (2)O15—Mo4—O14—Mo1100.8 (6)
O3—Mo1—O5—Cu14.6 (4)O13—Mo4—O14—Mo179.6 (2)
O6—Mo1—O5—Cu1111.3 (4)O12ii—Mo4—O14—Mo1178.4 (2)
O7—Mo1—O5—Cu196.1 (4)O6—Mo4—O14—Mo115.90 (19)
O14—Mo1—O5—Cu1158.4 (5)O10ii—Mo4—O14—Mo197.81 (19)
O4—Mo1—O5—Cu1167.0 (3)O15—Mo4—O14—Mo3ii95.8 (7)
O2—Cu1—O5—Mo175.9 (4)O13—Mo4—O14—Mo3ii83.8 (2)
O1—Cu1—O5—Mo1103.2 (4)O12ii—Mo4—O14—Mo3ii15.0 (2)
N1—Cu1—O5—Mo1164.0 (4)O6—Mo4—O14—Mo3ii179.3 (2)
N3—Cu1—O5—Mo114.2 (4)O10ii—Mo4—O14—Mo3ii98.81 (19)
O1i—Cu1—O5—Mo1152.8 (5)O15—Mo4—O14—Mo2ii3.0 (7)
O3—Mo1—O6—Mo467.7 (3)O13—Mo4—O14—Mo2ii177.5 (2)
O5—Mo1—O6—Mo4176.1 (3)O12ii—Mo4—O14—Mo2ii83.8 (2)
O7—Mo1—O6—Mo456.8 (5)O6—Mo4—O14—Mo2ii81.9 (2)
O14—Mo1—O6—Mo422.8 (3)O10ii—Mo4—O14—Mo2ii0.03 (17)
O4—Mo1—O6—Mo495.8 (3)O2—Cu1—N1—C1148.8 (6)
O15—Mo4—O6—Mo1179.7 (3)O1—Cu1—N1—C130.3 (6)
O13—Mo4—O6—Mo172.1 (3)O1i—Cu1—N1—C1108.5 (6)
O12ii—Mo4—O6—Mo145.4 (5)O5—Cu1—N1—C159.5 (6)
O10ii—Mo4—O6—Mo194.9 (3)O2—Cu1—N1—C527.4 (7)
O14—Mo4—O6—Mo121.9 (2)O1—Cu1—N1—C5153.6 (7)
O9—Mo2—O7—Mo172.7 (3)O1i—Cu1—N1—C575.3 (7)
O10—Mo2—O7—Mo1178.8 (3)O5—Cu1—N1—C5116.6 (7)
O4ii—Mo2—O7—Mo165.7 (5)O2—Cu1—N3—C15153.6 (7)
O14—Mo2—O7—Mo124.1 (2)O1—Cu1—N3—C1525.4 (7)
O14ii—Mo2—O7—Mo1101.7 (3)O1i—Cu1—N3—C15103.9 (7)
Mo3ii—Mo2—O7—Mo125.5 (3)O5—Cu1—N3—C1564.6 (8)
O9—Mo2—O7—Mo3172.6 (3)O2—Cu1—N3—C1131.0 (7)
O10—Mo2—O7—Mo366.5 (3)O1—Cu1—N3—C11150.0 (6)
O4ii—Mo2—O7—Mo349.0 (5)O1i—Cu1—N3—C1171.5 (6)
O14—Mo2—O7—Mo390.6 (3)O5—Cu1—N3—C11120.0 (6)
O14ii—Mo2—O7—Mo312.9 (2)C5—N1—C1—C21.4 (13)
Mo3ii—Mo2—O7—Mo389.2 (2)Cu1—N1—C1—C2175.1 (7)
O3—Mo1—O7—Mo267.9 (3)N1—C1—C2—C32.2 (13)
O5—Mo1—O7—Mo2174.1 (3)C1—C2—C3—C41.1 (13)
O6—Mo1—O7—Mo257.7 (5)C2—C3—C4—C50.8 (13)
O14—Mo1—O7—Mo222.9 (2)C1—N1—C5—C40.5 (13)
O4—Mo1—O7—Mo298.9 (3)Cu1—N1—C5—C4176.6 (6)
O3—Mo1—O7—Mo3172.2 (2)C1—N1—C5—C6176.4 (8)
O5—Mo1—O7—Mo366.1 (3)Cu1—N1—C5—C60.4 (11)
O6—Mo1—O7—Mo362.2 (5)C3—C4—C5—N11.6 (13)
O14—Mo1—O7—Mo396.9 (2)C3—C4—C5—C6175.3 (8)
O4—Mo1—O7—Mo320.95 (18)N1—C5—C6—C721.7 (13)
O8—Mo3—O7—Mo2167.6 (3)C4—C5—C6—C7155.3 (9)
O11—Mo3—O7—Mo242.1 (10)N1—C5—C6—C9160.3 (8)
O12—Mo3—O7—Mo264.9 (3)C4—C5—C6—C922.6 (13)
O4—Mo3—O7—Mo292.2 (3)Cu1—O2—C7—C642.9 (12)
O14ii—Mo3—O7—Mo213.7 (2)Cu1—O2—C7—C8138.4 (6)
Mo2ii—Mo3—O7—Mo256.9 (2)C9—C6—C7—O2177.2 (9)
O8—Mo3—O7—Mo174.8 (3)C5—C6—C7—O20.7 (15)
O11—Mo3—O7—Mo175.5 (9)C9—C6—C7—C81.4 (13)
O12—Mo3—O7—Mo1177.5 (3)C5—C6—C7—C8179.4 (8)
O4—Mo3—O7—Mo125.4 (2)C10—N2—C8—C72.6 (13)
O14ii—Mo3—O7—Mo1103.9 (3)O2—C7—C8—N2178.9 (8)
Mo2ii—Mo3—O7—Mo160.73 (18)C6—C7—C8—N20.1 (13)
O9—Mo2—O10—Mo4ii179.8 (3)C7—C6—C9—C100.6 (14)
O7—Mo2—O10—Mo4ii75.3 (3)C5—C6—C9—C10178.6 (8)
O4ii—Mo2—O10—Mo4ii77.1 (3)C8—N2—C10—C93.5 (13)
O14—Mo2—O10—Mo4ii0.4 (7)C6—C9—C10—N21.8 (14)
O14ii—Mo2—O10—Mo4ii0.0 (2)C15—N3—C11—C120.3 (13)
Mo3ii—Mo2—O10—Mo4ii77.4 (3)Cu1—N3—C11—C12176.2 (7)
O8—Mo3—O12—Mo4ii179.8 (3)N3—C11—C12—C130.0 (14)
O11—Mo3—O12—Mo4ii71.3 (3)C11—C12—C13—C140.5 (14)
O4—Mo3—O12—Mo4ii53.0 (5)C12—C13—C14—C150.8 (13)
O14ii—Mo3—O12—Mo4ii22.0 (3)C11—N3—C15—C140.0 (13)
O7—Mo3—O12—Mo4ii93.0 (3)Cu1—N3—C15—C14175.4 (7)
Mo2ii—Mo3—O12—Mo4ii21.4 (4)C11—N3—C15—C16178.9 (8)
O9—Mo2—O14—Mo181.7 (2)Cu1—N3—C15—C163.5 (12)
O10—Mo2—O14—Mo198.9 (6)C13—C14—C15—N30.5 (14)
O7—Mo2—O14—Mo119.55 (19)C13—C14—C15—C16179.4 (8)
O4ii—Mo2—O14—Mo1179.3 (2)N3—C15—C16—C19155.8 (8)
O14ii—Mo2—O14—Mo198.5 (2)C14—C15—C16—C1925.2 (13)
Mo3ii—Mo2—O14—Mo1162.0 (3)N3—C15—C16—C1724.4 (12)
O9—Mo2—O14—Mo3ii80.3 (2)C14—C15—C16—C17154.5 (9)
O10—Mo2—O14—Mo3ii99.1 (6)Cu1—O1—C17—C1641.3 (11)
O7—Mo2—O14—Mo3ii178.5 (2)Cu1—O1—C17—C18139.1 (6)
O4ii—Mo2—O14—Mo3ii18.70 (19)C19—C16—C17—O1179.4 (8)
O14ii—Mo2—O14—Mo3ii99.5 (2)C15—C16—C17—O10.9 (14)
O9—Mo2—O14—Mo2ii179.8 (2)C19—C16—C17—C181.0 (12)
O10—Mo2—O14—Mo2ii0.3 (7)C15—C16—C17—C18178.7 (8)
O7—Mo2—O14—Mo2ii79.0 (2)C20—N4—C18—C170.9 (13)
O4ii—Mo2—O14—Mo2ii80.8 (2)O1—C17—C18—N4179.2 (7)
O14ii—Mo2—O14—Mo2ii0.0C16—C17—C18—N41.1 (12)
Mo3ii—Mo2—O14—Mo2ii99.5 (2)C17—C16—C19—C200.7 (13)
O9—Mo2—O14—Mo40.6 (10)C15—C16—C19—C20179.0 (8)
O10—Mo2—O14—Mo4180.0 (8)C18—N4—C20—C190.5 (13)
O7—Mo2—O14—Mo4100.7 (10)C16—C19—C20—N40.4 (13)
Symmetry codes: (i) x+1, y, z; (ii) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2N···O9iii0.89 (7)2.02 (7)2.892 (10)167 (7)
N4—H4N···O11iv0.89 (6)2.10 (8)2.866 (10)144 (6)
C4—H4···O5v0.952.473.100 (11)124
C10—H10···O11v0.952.583.335 (11)137
Symmetry codes: (iii) x+1, y+1, z; (iv) x+1, y, z+1; (v) x, y, z.
 

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