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The title compound, (H3O)4[Co(H2O)6)][Co(C11H14N2O8)]2[Mo8O26]·6H2O, features two anionic cobalt complexes and an octa­molybdate ion (site symmetry \overline{1}), three cationic hydro­nium and one hexa­aquacobalt(II) ions (site symmetry \overline{1}), and six isolated water mol­ecules, forming an inorganic–organic hybrid. These cationic and anionic components together with isolated water mol­ecules are linked together to form a three-dimensional framework connected by various hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680603950X/br2015sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680603950X/br2015Isup2.hkl
Contains datablock I

CCDC reference: 624001

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.029
  • wR factor = 0.087
  • Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found



Alert level A DIFF020_ALERT_1_A _diffrn_standards_interval_count and _diffrn_standards_interval_time are missing. Number of measurements between standards or time (min) between standards. DIFF022_ALERT_1_A _diffrn_standards_decay_% is missing Percentage decrease in standards intensity.
Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Co2 PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O23 PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O24
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 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, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: DIAMOND (Bergerhoff et al., 1996).; software used to prepare material for publication: SHELXTL.

Tetrahydronium hexaaquacobalt(II) bis{[propane-1,3-diyldiamine-N,N,N',N'-tetraacetato]cobalt(III)} octamolybdate hexahydrate top
Crystal data top
(H3O)4[Co(H2O)6)][Co(C11H14N2O8)]2[Mo8O26]·6H2OZ = 1
Mr = 2257.08F(000) = 1105
Triclinic, P1Dx = 2.423 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71069 Å
a = 8.3925 (4) ÅCell parameters from 4689 reflections
b = 10.7997 (6) Åθ = 1.2–27.5°
c = 17.4788 (10) ŵ = 2.48 mm1
α = 89.8891 (8)°T = 296 K
β = 85.1910 (7)°Block, violet
γ = 78.4996 (8)°0.27 × 0.24 × 0.22 mm
V = 1546.76 (14) Å3
Data collection top
Bruker SMART APEX-II
diffractometer
6031 independent reflections
Radiation source: fine-focus sealed tube5022 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.019
ω scansθmax = 26.1°, θmin = 1.2°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 1010
Tmin = 0.520, Tmax = 0.590k = 1313
8404 measured reflectionsl = 2021
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)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.087H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.047P)2]
where P = (Fo2 + 2Fc2)/3
6031 reflections(Δ/σ)max < 0.001
430 parametersΔρmax = 0.73 e Å3
0 restraintsΔρmin = 0.96 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
Co10.04594 (6)0.33634 (5)0.16373 (3)0.01804 (13)
Co20.50000.50000.00000.02386 (19)
Mo10.69729 (4)0.02773 (3)0.515690 (19)0.01560 (9)
Mo20.19066 (4)0.28854 (3)0.53252 (2)0.01885 (10)
Mo30.40833 (4)0.10508 (3)0.65123 (2)0.01947 (10)
Mo40.48455 (4)0.20774 (3)0.39794 (2)0.01828 (10)
O10.5004 (4)0.2191 (3)0.30136 (18)0.0308 (7)
O20.2606 (3)0.2802 (3)0.42526 (16)0.0212 (6)
O30.0082 (4)0.3608 (3)0.53525 (18)0.0297 (7)
O40.2908 (4)0.4047 (3)0.55714 (18)0.0279 (7)
O50.1997 (3)0.1983 (3)0.62803 (16)0.0231 (6)
O60.5041 (4)0.2241 (3)0.67155 (19)0.0313 (7)
O70.3571 (4)0.0453 (3)0.73736 (17)0.0317 (7)
O80.4443 (3)0.1264 (2)0.51961 (15)0.0174 (6)
O90.6072 (3)0.0219 (2)0.61540 (16)0.0190 (6)
O100.5722 (4)0.3247 (3)0.43050 (18)0.0269 (7)
O110.6744 (3)0.0630 (2)0.40840 (15)0.0179 (6)
O120.7756 (3)0.1511 (3)0.54436 (18)0.0254 (7)
O130.8613 (3)0.1008 (2)0.50450 (17)0.0212 (6)
O140.1471 (4)0.3062 (3)0.12559 (17)0.0246 (7)
O150.1707 (4)0.2390 (3)0.07959 (17)0.0266 (7)
O160.2406 (3)0.3685 (3)0.19773 (17)0.0257 (7)
O170.0272 (4)0.4914 (3)0.10866 (17)0.0265 (7)
O180.3348 (4)0.4953 (3)0.2733 (2)0.0395 (8)
O190.2856 (4)0.1551 (3)0.1072 (2)0.0398 (9)
O210.1086 (4)0.6900 (3)0.1128 (2)0.0435 (9)
O220.3397 (4)0.0547 (3)0.05458 (19)0.0404 (9)
O230.3634 (4)0.5801 (3)0.4212 (2)0.0466 (9)
H10.29960.63480.39720.056*
H20.43340.61500.44050.056*
H30.30850.54930.45680.056*
O240.6229 (5)0.8908 (4)0.1033 (2)0.0595 (12)
H40.70280.82370.10850.071*
H50.62690.95100.13890.071*
H60.62900.90820.05200.071*
O250.0824 (7)0.8690 (5)0.0637 (3)0.0909 (18)
H70.14080.85380.02170.109*
H80.02490.81450.05840.109*
O260.3327 (7)0.7692 (4)0.1605 (3)0.0802 (16)
H90.33570.83250.13150.096*
H100.36460.78290.20410.096*
O270.4867 (4)0.5321 (3)0.11809 (18)0.0391 (8)
H110.43940.60720.12970.047*
H120.44580.50000.15900.047*
O280.4798 (4)0.3098 (3)0.0211 (2)0.0393 (8)
H130.38580.30850.04250.047*
H140.55070.26610.05120.047*
O290.7476 (4)0.4464 (3)0.0004 (2)0.0410 (9)
H150.82930.46260.03320.049*
H160.77910.40590.03760.049*
O300.8890 (5)0.1640 (4)0.7026 (2)0.0623 (12)
H170.97980.16700.67690.075*
H180.89820.17160.75050.075*
N10.0620 (4)0.1746 (3)0.21526 (19)0.0196 (7)
N20.0713 (4)0.4418 (3)0.2491 (2)0.0214 (7)
C10.1781 (6)0.1957 (4)0.1376 (3)0.0271 (10)
C20.0766 (5)0.1157 (4)0.1939 (3)0.0279 (10)
H2A0.14550.10520.23980.033*
H2B0.03300.03260.17130.033*
C30.0864 (5)0.2632 (4)0.3420 (3)0.0291 (10)
H3A0.05610.29330.38980.035*
H3B0.16150.20730.35500.035*
C40.0652 (5)0.1857 (4)0.3003 (2)0.0250 (9)
H4A0.15750.22260.31070.030*
H4B0.08320.10130.32130.030*
C50.1789 (5)0.3768 (4)0.3011 (3)0.0260 (10)
H5A0.25780.34900.27110.031*
H5B0.23880.43730.33940.031*
C60.0523 (5)0.4886 (4)0.2923 (3)0.0279 (10)
H6A0.05070.45470.34370.034*
H6B0.02350.58000.29680.034*
C70.2229 (5)0.4501 (4)0.2525 (3)0.0252 (9)
C80.2218 (5)0.0995 (4)0.1828 (2)0.0247 (9)
H8A0.22300.01000.18870.030*
H8B0.30930.12030.21000.030*
C90.2466 (5)0.1293 (4)0.0990 (3)0.0249 (9)
C100.1740 (5)0.5487 (4)0.2111 (3)0.0283 (10)
H10A0.20330.62100.24600.034*
H10B0.27360.52460.19790.034*
C110.0808 (5)0.5835 (4)0.1398 (3)0.0274 (10)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0193 (3)0.0170 (3)0.0172 (3)0.0022 (2)0.0014 (2)0.0011 (2)
Co20.0194 (4)0.0251 (4)0.0276 (5)0.0058 (3)0.0019 (3)0.0060 (3)
Mo10.01363 (17)0.01452 (17)0.01933 (19)0.00442 (13)0.00146 (13)0.00156 (13)
Mo20.01759 (18)0.01522 (18)0.0231 (2)0.00253 (13)0.00009 (14)0.00241 (14)
Mo30.02203 (19)0.01846 (19)0.01716 (19)0.00294 (14)0.00022 (14)0.00343 (14)
Mo40.01878 (18)0.01522 (18)0.0205 (2)0.00307 (13)0.00042 (14)0.00178 (14)
O10.0345 (18)0.0290 (17)0.0275 (18)0.0030 (14)0.0025 (14)0.0057 (13)
O20.0194 (14)0.0200 (14)0.0233 (16)0.0005 (11)0.0046 (12)0.0023 (12)
O30.0219 (16)0.0259 (16)0.039 (2)0.0001 (13)0.0017 (14)0.0048 (14)
O40.0280 (17)0.0232 (16)0.0341 (18)0.0090 (13)0.0027 (14)0.0031 (13)
O50.0218 (15)0.0244 (15)0.0213 (16)0.0018 (12)0.0017 (12)0.0008 (12)
O60.0324 (17)0.0265 (17)0.0366 (19)0.0088 (14)0.0054 (15)0.0089 (14)
O70.0397 (19)0.0341 (18)0.0192 (16)0.0048 (15)0.0032 (14)0.0001 (13)
O80.0150 (13)0.0181 (14)0.0196 (15)0.0036 (11)0.0028 (11)0.0027 (11)
O90.0192 (14)0.0198 (14)0.0187 (15)0.0045 (11)0.0039 (11)0.0000 (11)
O100.0257 (16)0.0208 (15)0.0345 (19)0.0068 (12)0.0002 (14)0.0001 (13)
O110.0167 (13)0.0189 (14)0.0174 (15)0.0039 (11)0.0029 (11)0.0002 (11)
O120.0204 (15)0.0215 (15)0.0366 (18)0.0089 (12)0.0050 (13)0.0021 (13)
O130.0190 (14)0.0168 (14)0.0275 (16)0.0028 (11)0.0014 (12)0.0008 (12)
O140.0268 (16)0.0222 (15)0.0270 (17)0.0065 (12)0.0113 (13)0.0045 (12)
O150.0329 (17)0.0220 (15)0.0213 (16)0.0018 (13)0.0004 (13)0.0005 (12)
O160.0221 (15)0.0279 (16)0.0269 (17)0.0042 (12)0.0028 (13)0.0031 (13)
O170.0302 (16)0.0209 (15)0.0263 (17)0.0017 (13)0.0014 (13)0.0070 (12)
O180.0329 (19)0.046 (2)0.044 (2)0.0183 (16)0.0058 (16)0.0035 (17)
O190.044 (2)0.0350 (19)0.049 (2)0.0188 (16)0.0300 (18)0.0098 (16)
O210.044 (2)0.0231 (17)0.057 (2)0.0047 (15)0.0036 (18)0.0170 (16)
O220.044 (2)0.0335 (19)0.034 (2)0.0098 (16)0.0072 (16)0.0027 (15)
O230.040 (2)0.046 (2)0.056 (2)0.0108 (17)0.0058 (18)0.0028 (18)
O240.065 (3)0.057 (3)0.047 (3)0.015 (2)0.012 (2)0.007 (2)
O250.110 (4)0.074 (3)0.095 (4)0.053 (3)0.040 (3)0.030 (3)
O260.133 (5)0.047 (3)0.054 (3)0.015 (3)0.026 (3)0.008 (2)
O270.0385 (19)0.049 (2)0.0261 (18)0.0029 (16)0.0024 (15)0.0061 (15)
O280.0306 (18)0.0308 (18)0.058 (2)0.0090 (15)0.0058 (17)0.0155 (16)
O290.0218 (17)0.063 (2)0.037 (2)0.0073 (16)0.0021 (15)0.0240 (17)
O300.050 (2)0.096 (3)0.042 (2)0.024 (2)0.008 (2)0.001 (2)
N10.0220 (17)0.0214 (18)0.0149 (17)0.0023 (14)0.0041 (14)0.0010 (13)
N20.0187 (17)0.0223 (18)0.0235 (19)0.0057 (14)0.0008 (15)0.0029 (14)
C10.030 (2)0.023 (2)0.027 (2)0.0028 (18)0.0030 (19)0.0022 (18)
C20.032 (2)0.024 (2)0.031 (3)0.0119 (19)0.009 (2)0.0036 (19)
C30.031 (2)0.035 (3)0.023 (2)0.011 (2)0.0013 (19)0.0076 (19)
C40.028 (2)0.027 (2)0.020 (2)0.0040 (18)0.0049 (18)0.0019 (18)
C50.025 (2)0.025 (2)0.027 (2)0.0060 (18)0.0036 (18)0.0020 (18)
C60.030 (2)0.028 (2)0.027 (2)0.0083 (19)0.0006 (19)0.0073 (19)
C70.025 (2)0.026 (2)0.028 (2)0.0121 (18)0.0070 (19)0.0074 (19)
C80.025 (2)0.019 (2)0.025 (2)0.0068 (17)0.0013 (18)0.0024 (17)
C90.025 (2)0.023 (2)0.025 (2)0.0011 (18)0.0008 (18)0.0025 (18)
C100.026 (2)0.022 (2)0.034 (3)0.0012 (18)0.0024 (19)0.0004 (19)
C110.023 (2)0.020 (2)0.038 (3)0.0028 (17)0.004 (2)0.0025 (19)
Geometric parameters (Å, º) top
Co1—O161.879 (3)O23—H10.8501
Co1—O141.889 (3)O23—H20.8501
Co1—O171.915 (3)O23—H30.8501
Co1—O151.917 (3)O24—H40.8943
Co1—N11.949 (3)O24—H50.9070
Co1—N21.951 (3)O24—H60.9153
Co2—O292.042 (3)O25—H70.8447
Co2—O29i2.042 (3)O25—H80.8420
Co2—O27i2.084 (3)O26—H90.8540
Co2—O272.084 (3)O26—H100.8507
Co2—O28i2.123 (3)O27—H110.8457
Co2—O282.123 (3)O27—H120.8690
Mo1—O121.693 (3)O28—H130.8471
Mo1—O131.747 (3)O28—H140.8918
Mo1—O111.931 (3)O29—H150.9003
Mo1—O91.958 (3)O29—H160.8277
Mo1—O82.173 (3)O30—H170.8580
Mo1—O8ii2.341 (3)O30—H180.8526
Mo2—O31.693 (3)N1—C81.490 (5)
Mo2—O41.717 (3)N1—C41.494 (5)
Mo2—O21.914 (3)N1—C21.506 (5)
Mo2—O51.931 (3)N2—C101.487 (5)
Mo2—O13ii2.264 (3)N2—C61.498 (5)
Mo2—O82.466 (3)N2—C51.499 (5)
Mo3—O71.693 (3)C1—C21.511 (6)
Mo3—O61.699 (3)C2—H2A0.9700
Mo3—O51.913 (3)C2—H2B0.9700
Mo3—O91.993 (3)C3—C41.508 (6)
Mo3—O82.312 (3)C3—C51.526 (6)
Mo3—O11ii2.344 (3)C3—H3A0.9700
Mo4—O11.688 (3)C3—H3B0.9700
Mo4—O101.704 (3)C4—H4A0.9700
Mo4—O21.907 (3)C4—H4B0.9700
Mo4—O112.017 (3)C5—H5A0.9700
Mo4—O9ii2.307 (3)C5—H5B0.9700
Mo4—O82.323 (3)C6—C71.518 (6)
O14—C11.284 (5)C6—H6A0.9700
O15—C91.287 (5)C6—H6B0.9700
O16—C71.282 (5)C8—C91.506 (6)
O17—C111.291 (5)C8—H8A0.9700
O18—C71.222 (5)C8—H8B0.9700
O19—C11.235 (5)C10—C111.503 (6)
O21—C111.229 (5)C10—H10A0.9700
O22—C91.229 (5)C10—H10B0.9700
O16—Co1—O14177.70 (13)Mo3—O8—Mo286.57 (9)
O16—Co1—O1787.64 (13)Mo4—O8—Mo285.37 (9)
O14—Co1—O1790.66 (13)Mo1ii—O8—Mo291.47 (10)
O16—Co1—O1589.20 (13)Mo1—O9—Mo3109.63 (13)
O14—Co1—O1589.33 (14)Mo1—O9—Mo4ii109.82 (12)
O17—Co1—O1593.04 (13)Mo3—O9—Mo4ii104.71 (12)
O16—Co1—N194.41 (14)Mo1—O11—Mo4109.67 (12)
O14—Co1—N187.24 (13)Mo1—O11—Mo3ii109.97 (12)
O17—Co1—N1177.15 (13)Mo4—O11—Mo3ii102.63 (12)
O15—Co1—N185.00 (13)Mo1—O13—Mo2ii117.74 (14)
O16—Co1—N287.90 (14)C1—O14—Co1115.9 (3)
O14—Co1—N293.50 (14)C9—O15—Co1113.6 (3)
O17—Co1—N285.02 (14)C7—O16—Co1115.4 (3)
O15—Co1—N2176.58 (14)C11—O17—Co1114.3 (3)
N1—Co1—N297.03 (15)H1—O23—H2109.4
O29—Co2—O29i180.0 (2)H1—O23—H3109.5
O29—Co2—O27i90.87 (13)H2—O23—H3109.5
O29i—Co2—O27i89.13 (13)H4—O24—H5109.9
O29—Co2—O2789.13 (13)H4—O24—H6105.1
O29i—Co2—O2790.87 (13)H5—O24—H6120.9
O27i—Co2—O27180.000 (1)H7—O25—H897.0
O29—Co2—O28i90.89 (14)H9—O26—H10110.2
O29i—Co2—O28i89.11 (14)Co2—O27—H11111.0
O27i—Co2—O28i89.23 (14)Co2—O27—H12136.4
O27—Co2—O28i90.77 (14)H11—O27—H1294.4
O29—Co2—O2889.11 (14)Co2—O28—H13109.3
O29i—Co2—O2890.89 (14)Co2—O28—H14116.5
O27i—Co2—O2890.77 (14)H13—O28—H14106.0
O27—Co2—O2889.23 (14)Co2—O29—H15131.6
O28i—Co2—O28180.0Co2—O29—H16114.5
O12—Mo1—O13105.99 (14)H15—O29—H16113.8
O12—Mo1—O11101.93 (13)H17—O30—H18110.1
O13—Mo1—O1198.13 (12)C8—N1—C4108.7 (3)
O12—Mo1—O999.39 (13)C8—N1—C2110.9 (3)
O13—Mo1—O996.15 (13)C4—N1—C2112.0 (3)
O11—Mo1—O9149.88 (11)C8—N1—Co1103.8 (2)
O12—Mo1—O897.00 (12)C4—N1—Co1113.1 (3)
O13—Mo1—O8156.91 (12)C2—N1—Co1108.1 (2)
O11—Mo1—O878.83 (11)C10—N2—C6110.2 (3)
O9—Mo1—O877.66 (11)C10—N2—C5109.3 (3)
O12—Mo1—O8ii172.56 (12)C6—N2—C5111.4 (3)
O13—Mo1—O8ii81.29 (12)C10—N2—Co1104.0 (3)
O11—Mo1—O8ii78.16 (11)C6—N2—Co1107.7 (2)
O9—Mo1—O8ii77.99 (10)C5—N2—Co1114.0 (3)
O8—Mo1—O8ii75.67 (11)O19—C1—O14123.7 (4)
O3—Mo2—O4104.86 (15)O19—C1—C2120.4 (4)
O3—Mo2—O2103.50 (14)O14—C1—C2115.9 (4)
O4—Mo2—O297.18 (14)N1—C2—C1111.7 (3)
O3—Mo2—O5102.42 (14)N1—C2—H2A109.3
O4—Mo2—O597.99 (14)C1—C2—H2A109.3
O2—Mo2—O5145.35 (12)N1—C2—H2B109.3
O3—Mo2—O13ii92.89 (12)C1—C2—H2B109.3
O4—Mo2—O13ii162.22 (12)H2A—C2—H2B107.9
O2—Mo2—O13ii77.27 (11)C4—C3—C5118.1 (4)
O5—Mo2—O13ii78.84 (12)C4—C3—H3A107.8
O3—Mo2—O8162.32 (12)C5—C3—H3A107.8
O4—Mo2—O892.79 (12)C4—C3—H3B107.8
O2—Mo2—O874.68 (10)C5—C3—H3B107.8
O5—Mo2—O873.63 (11)H3A—C3—H3B107.1
O13ii—Mo2—O869.49 (10)N1—C4—C3115.5 (4)
O7—Mo3—O6105.39 (16)N1—C4—H4A108.4
O7—Mo3—O5100.17 (14)C3—C4—H4A108.4
O6—Mo3—O5101.07 (14)N1—C4—H4B108.4
O7—Mo3—O9100.97 (14)C3—C4—H4B108.4
O6—Mo3—O997.32 (14)H4A—C4—H4B107.5
O5—Mo3—O9147.06 (12)N2—C5—C3113.8 (3)
O7—Mo3—O8159.88 (13)N2—C5—H5A108.8
O6—Mo3—O894.60 (13)C3—C5—H5A108.8
O5—Mo3—O877.73 (11)N2—C5—H5B108.8
O9—Mo3—O873.74 (10)C3—C5—H5B108.8
O7—Mo3—O11ii88.65 (13)H5A—C5—H5B107.7
O6—Mo3—O11ii163.85 (13)N2—C6—C7111.6 (3)
O5—Mo3—O11ii83.85 (11)N2—C6—H6A109.3
O9—Mo3—O11ii71.72 (11)C7—C6—H6A109.3
O8—Mo3—O11ii71.23 (10)N2—C6—H6B109.3
O1—Mo4—O10105.26 (15)C7—C6—H6B109.3
O1—Mo4—O2102.85 (14)H6A—C6—H6B108.0
O10—Mo4—O299.54 (13)O18—C7—O16123.4 (4)
O1—Mo4—O1198.60 (13)O18—C7—C6120.3 (4)
O10—Mo4—O1197.38 (13)O16—C7—C6116.2 (4)
O2—Mo4—O11147.98 (12)N1—C8—C9109.0 (3)
O1—Mo4—O9ii88.76 (13)N1—C8—H8A109.9
O10—Mo4—O9ii163.83 (12)C9—C8—H8A109.9
O2—Mo4—O9ii84.78 (11)N1—C8—H8B109.9
O11—Mo4—O9ii72.13 (11)C9—C8—H8B109.9
O1—Mo4—O8160.59 (13)H8A—C8—H8B108.3
O10—Mo4—O893.50 (13)O22—C9—O15124.0 (4)
O2—Mo4—O878.37 (11)O22—C9—C8120.9 (4)
O11—Mo4—O873.63 (10)O15—C9—C8115.1 (4)
O9ii—Mo4—O871.99 (10)N2—C10—C11109.5 (3)
Mo4—O2—Mo2116.47 (14)N2—C10—H10A109.8
Mo3—O5—Mo2117.05 (14)C11—C10—H10A109.8
Mo1—O8—Mo392.05 (10)N2—C10—H10B109.8
Mo1—O8—Mo491.69 (10)C11—C10—H10B109.8
Mo3—O8—Mo4163.15 (13)H10A—C10—H10B108.2
Mo1—O8—Mo1ii104.33 (11)O21—C11—O17123.3 (4)
Mo3—O8—Mo1ii97.89 (10)O21—C11—C10122.4 (4)
Mo4—O8—Mo1ii97.09 (10)O17—C11—C10114.3 (4)
Mo1—O8—Mo2164.17 (13)
O1—Mo4—O2—Mo2178.96 (15)O1—Mo4—O8—Mo185.5 (4)
O10—Mo4—O2—Mo270.78 (18)O10—Mo4—O8—Mo179.77 (13)
O11—Mo4—O2—Mo250.2 (3)O2—Mo4—O8—Mo1178.80 (11)
O8—Mo4—O2—Mo220.86 (14)O11—Mo4—O8—Mo116.90 (10)
O3—Mo2—O2—Mo4178.23 (15)O1—Mo4—O8—Mo3171.7 (4)
O4—Mo2—O2—Mo471.01 (18)O10—Mo4—O8—Mo323.0 (4)
O5—Mo2—O2—Mo444.4 (3)O2—Mo4—O8—Mo376.0 (4)
O8—Mo2—O2—Mo419.92 (13)O11—Mo4—O8—Mo3119.6 (4)
O7—Mo3—O5—Mo2179.68 (15)O1—Mo4—O8—Mo2110.1 (4)
O6—Mo3—O5—Mo271.63 (18)O10—Mo4—O8—Mo284.65 (12)
O9—Mo3—O5—Mo251.1 (3)O2—Mo4—O8—Mo214.37 (10)
O8—Mo3—O5—Mo220.73 (14)O11—Mo4—O8—Mo2178.68 (10)
O3—Mo2—O5—Mo3178.04 (15)O3—Mo2—O8—Mo1179.2 (5)
O4—Mo2—O5—Mo370.82 (18)O4—Mo2—O8—Mo12.3 (5)
O2—Mo2—O5—Mo344.3 (3)O2—Mo2—O8—Mo194.4 (5)
O8—Mo2—O5—Mo319.75 (13)O5—Mo2—O8—Mo199.8 (5)
O12—Mo1—O8—Mo380.01 (13)O3—Mo2—O8—Mo393.8 (4)
O13—Mo1—O8—Mo394.6 (3)O4—Mo2—O8—Mo383.07 (12)
O11—Mo1—O8—Mo3179.15 (11)O2—Mo2—O8—Mo3179.75 (11)
O9—Mo1—O8—Mo318.11 (10)O5—Mo2—O8—Mo314.44 (10)
O12—Mo1—O8—Mo483.56 (13)O3—Mo2—O8—Mo4101.0 (4)
O13—Mo1—O8—Mo4101.8 (3)O4—Mo2—O8—Mo482.13 (12)
O11—Mo1—O8—Mo417.28 (10)O2—Mo2—O8—Mo414.55 (10)
O9—Mo1—O8—Mo4178.31 (11)O5—Mo2—O8—Mo4179.64 (11)
O12—Mo1—O8—Mo24.6 (5)O12—Mo1—O9—Mo372.68 (15)
O13—Mo1—O8—Mo2179.3 (4)O13—Mo1—O9—Mo3179.95 (13)
O11—Mo1—O8—Mo296.2 (5)O11—Mo1—O9—Mo361.9 (3)
O9—Mo1—O8—Mo2102.8 (5)O8—Mo1—O9—Mo322.50 (12)
O7—Mo3—O8—Mo195.4 (4)O7—Mo3—O9—Mo1178.51 (14)
O6—Mo3—O8—Mo178.18 (13)O6—Mo3—O9—Mo171.21 (16)
O5—Mo3—O8—Mo1178.53 (12)O5—Mo3—O9—Mo152.4 (3)
O9—Mo3—O8—Mo118.11 (10)O8—Mo3—O9—Mo121.47 (12)
O7—Mo3—O8—Mo4161.9 (4)O12—Mo1—O11—Mo473.60 (16)
O6—Mo3—O8—Mo424.5 (4)O13—Mo1—O11—Mo4178.06 (13)
O5—Mo3—O8—Mo475.8 (4)O9—Mo1—O11—Mo460.5 (3)
O9—Mo3—O8—Mo4120.8 (4)O8—Mo1—O11—Mo421.29 (12)
O7—Mo3—O8—Mo2100.4 (4)O1—Mo4—O11—Mo1177.92 (14)
O6—Mo3—O8—Mo286.03 (13)O10—Mo4—O11—Mo171.18 (16)
O5—Mo3—O8—Mo214.31 (10)O2—Mo4—O11—Mo150.3 (3)
O9—Mo3—O8—Mo2177.68 (11)O8—Mo4—O11—Mo120.32 (12)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O23—H2···O10iii0.852.342.921 (5)126
O23—H3···O40.852.363.131 (5)151
O23—H1···O12iii0.852.472.947 (4)116
O23—H2···O4iii0.852.292.994 (5)141
O24—H4···O21iv0.891.922.814 (5)173
O24—H6···O22i0.921.912.826 (5)175
O24—H5···O7iii0.912.182.897 (5)135
O25—H7···O19v0.842.463.298 (6)170
O25—H8···O210.842.092.836 (6)147
O26—H9···O250.852.482.851 (8)107
O27—H12···O180.872.142.960 (5)158
O27—H12···O160.872.493.208 (5)140
O27—H11···O260.851.862.702 (5)177
O28—H14···O19iv0.891.962.848 (5)173
O28—H13···O150.852.142.950 (5)160
O29—H16···O14iv0.831.952.776 (4)178
O29—H15···O17i0.901.852.739 (4)172
O30—H18···O26iii0.852.362.904 (6)122
O30—H17···O5iv0.862.062.907 (5)170
Symmetry codes: (i) x+1, y+1, z; (iii) x+1, y+1, z+1; (iv) x+1, y, z; (v) x, y+1, z.
 

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