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The title inorganic–organic hybrid, {(C7H18N5)2[Mo8O27]·6H2O}n, features polyoxomolybdate chains with neighboring [Mo8O27]6− subunits, each lying on an inversion center, sharing an O atom. These polyanionic chains together with the organic cations and the water mol­ecules are linked together by hydrogen bonds to form a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806044084/hy2023sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806044084/hy2023Isup2.hkl
Contains datablock I

CCDC reference: 629304

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](N-C) = 0.007 Å
  • R factor = 0.028
  • wR factor = 0.071
  • Data-to-parameter ratio = 13.3

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT432_ALERT_2_B Short Inter X...Y Contact O6 .. C7 .. 2.88 Ang.
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 21
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 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 (Brangdenburg, 1999); software used to prepare material for publication: SHELXTL.

catena-Poly[bis[1-(aminomethyl)-7-aza-1,3,5-azoniatricyclo[3.3.1.13,7]decane] [pentacosaoxooctamolybdato-µ-oxo] hexahydrate] top
Crystal data top
(C7H18N5)2[Mo8O27]·6H2OZ = 1
Mr = 1652.14F(000) = 802
Triclinic, P1Dx = 2.663 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.5936 (5) ÅCell parameters from 1265 reflections
b = 10.5893 (6) Åθ = 1.9–27.5°
c = 10.8918 (6) ŵ = 2.47 mm1
α = 79.1507 (7)°T = 296 K
β = 85.8548 (8)°Prism, light yellow
γ = 71.4513 (7)°0.28 × 0.25 × 0.22 mm
V = 1030.2 (1) Å3
Data collection top
Bruker SMART APEX-II CCD
diffractometer
3922 independent reflections
Radiation source: fine-focus sealed tube3427 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.012
φ and ω scansθmax = 26.0°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Bruker, 2002)
h = 911
Tmin = 0.525, Tmax = 0.580k = 1013
5794 measured reflectionsl = 1312
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)] = 0.028Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.071H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0365P)2 + 1.6272P]
where P = (Fo2 + 2Fc2)/3
3922 reflections(Δ/σ)max < 0.001
295 parametersΔρmax = 0.69 e Å3
0 restraintsΔρmin = 0.60 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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Mo10.60482 (4)0.09539 (3)0.52762 (3)0.01422 (9)
Mo20.28291 (4)0.22512 (4)0.35461 (3)0.01636 (10)
Mo30.08622 (4)0.04282 (4)0.63053 (3)0.01715 (10)
Mo40.59438 (4)0.12086 (4)0.20880 (3)0.01608 (10)
O10.4416 (3)0.2712 (3)0.2489 (3)0.0199 (6)
O20.2453 (3)0.0585 (3)0.7464 (3)0.0202 (6)
O30.6946 (3)0.1348 (3)0.6360 (3)0.0233 (7)
O40.5125 (3)0.0544 (3)0.1138 (3)0.0247 (7)
O50.4442 (3)0.2336 (3)0.5024 (3)0.0206 (6)
O60.0091 (3)0.2072 (3)0.6367 (3)0.0298 (7)
O70.4772 (3)0.0365 (3)0.3752 (2)0.0167 (6)
O80.1964 (3)0.1997 (3)0.2350 (3)0.0267 (7)
O90.6943 (3)0.2036 (3)0.1086 (3)0.0274 (7)
O100.7084 (3)0.1287 (3)0.3741 (2)0.0168 (6)
O110.0210 (3)0.0480 (3)0.7533 (3)0.0283 (7)
O120.00000.00000.50000.0267 (10)
O130.1749 (3)0.3800 (3)0.3865 (3)0.0268 (7)
O140.2368 (3)0.0983 (3)0.4860 (3)0.0181 (6)
OW10.2422 (5)0.0180 (5)0.9098 (4)0.0629 (13)
HW1A0.32930.01890.93100.075*
HW1B0.21820.01680.84310.075*
OW20.0159 (5)0.1631 (5)0.9796 (4)0.0694 (14)
HW2A0.05460.17491.05010.083*
HW2B0.07700.14720.98240.083*
OW30.2416 (5)0.6897 (5)0.1836 (4)0.0707 (15)
HW3A0.17290.73620.22820.085*
HW3B0.19490.74610.12210.085*
N10.4315 (5)0.4041 (4)0.8339 (4)0.0374 (10)
H10.52860.38580.84940.045*
N20.1842 (5)0.5032 (4)0.9126 (4)0.0390 (11)
N30.2414 (4)0.3038 (4)0.8152 (4)0.0307 (9)
H30.22300.22560.81840.037*
N40.2323 (4)0.5205 (4)0.6886 (3)0.0265 (8)
N50.2825 (4)0.5595 (4)0.4701 (3)0.0289 (9)
H5A0.24950.50200.44150.035*
H5B0.28440.62620.40820.035*
C10.2000 (6)0.3877 (5)0.6950 (4)0.0295 (11)
H1AA0.09600.40570.68200.035*
H1BA0.25460.34110.62950.035*
C20.1434 (6)0.5904 (5)0.7939 (5)0.0348 (12)
H2AA0.16280.67500.79320.042*
H2BA0.03910.61030.78080.042*
C30.3961 (5)0.4903 (5)0.7133 (5)0.0370 (12)
H3A0.45520.44560.64850.044*
H3B0.41750.57410.71230.044*
C40.3996 (5)0.2772 (5)0.8366 (5)0.0318 (11)
H4AA0.42670.21920.91710.038*
H4BA0.45760.23040.77250.038*
C50.1539 (6)0.3756 (5)0.9145 (5)0.0401 (13)
H5AA0.05000.39390.90120.048*
H5BA0.17860.31850.99560.048*
C60.3413 (6)0.4746 (6)0.9320 (5)0.0443 (14)
H6AA0.36800.41871.01340.053*
H6BA0.36180.55880.93080.053*
C70.1893 (6)0.6105 (5)0.5635 (4)0.0351 (12)
H7AA0.08930.61780.54510.042*
H7BA0.19250.70040.56690.042*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mo10.01278 (18)0.01753 (19)0.01348 (17)0.00608 (14)0.00151 (13)0.00370 (13)
Mo20.01351 (19)0.01794 (19)0.01633 (18)0.00374 (14)0.00000 (13)0.00192 (13)
Mo30.01166 (18)0.0240 (2)0.01606 (18)0.00544 (14)0.00129 (13)0.00503 (14)
Mo40.01519 (19)0.02043 (19)0.01284 (17)0.00620 (14)0.00077 (13)0.00263 (13)
O10.0195 (15)0.0192 (15)0.0208 (15)0.0074 (12)0.0008 (12)0.0007 (12)
O20.0162 (15)0.0242 (16)0.0215 (15)0.0060 (12)0.0029 (12)0.0070 (12)
O30.0206 (16)0.0321 (18)0.0224 (15)0.0132 (14)0.0018 (12)0.0082 (13)
O40.0250 (17)0.0318 (18)0.0205 (15)0.0112 (14)0.0020 (13)0.0077 (13)
O50.0179 (15)0.0224 (16)0.0217 (15)0.0054 (12)0.0003 (12)0.0058 (12)
O60.0220 (17)0.0316 (19)0.0324 (18)0.0017 (14)0.0025 (14)0.0084 (14)
O70.0120 (14)0.0226 (15)0.0162 (14)0.0071 (12)0.0032 (11)0.0033 (11)
O80.0228 (17)0.0345 (19)0.0241 (16)0.0088 (14)0.0019 (13)0.0078 (14)
O90.0259 (17)0.0313 (18)0.0249 (16)0.0112 (14)0.0058 (13)0.0035 (13)
O100.0147 (14)0.0207 (15)0.0168 (14)0.0081 (12)0.0021 (11)0.0045 (11)
O110.0231 (17)0.042 (2)0.0235 (16)0.0170 (15)0.0028 (13)0.0039 (14)
O120.017 (2)0.048 (3)0.021 (2)0.015 (2)0.0016 (17)0.014 (2)
O130.0234 (17)0.0214 (16)0.0331 (18)0.0015 (13)0.0014 (14)0.0075 (13)
O140.0136 (14)0.0200 (15)0.0205 (15)0.0050 (12)0.0036 (11)0.0051 (12)
OW10.050 (3)0.090 (4)0.058 (3)0.025 (3)0.013 (2)0.036 (3)
OW20.043 (3)0.095 (4)0.056 (3)0.012 (3)0.004 (2)0.002 (3)
OW30.056 (3)0.100 (4)0.040 (2)0.003 (3)0.005 (2)0.018 (2)
N10.031 (2)0.036 (2)0.044 (3)0.0065 (19)0.015 (2)0.0051 (19)
N20.047 (3)0.033 (2)0.035 (2)0.005 (2)0.002 (2)0.0119 (19)
N30.038 (2)0.021 (2)0.034 (2)0.0107 (18)0.0014 (18)0.0054 (17)
N40.024 (2)0.024 (2)0.029 (2)0.0053 (16)0.0052 (16)0.0021 (16)
N50.041 (2)0.025 (2)0.0222 (19)0.0155 (18)0.0009 (17)0.0009 (16)
C10.037 (3)0.024 (2)0.030 (2)0.010 (2)0.001 (2)0.0076 (19)
C20.036 (3)0.029 (3)0.039 (3)0.006 (2)0.004 (2)0.011 (2)
C30.028 (3)0.034 (3)0.049 (3)0.013 (2)0.006 (2)0.000 (2)
C40.032 (3)0.025 (2)0.033 (3)0.001 (2)0.005 (2)0.007 (2)
C50.047 (3)0.038 (3)0.032 (3)0.011 (3)0.008 (2)0.006 (2)
C60.060 (4)0.034 (3)0.039 (3)0.008 (3)0.020 (3)0.010 (2)
C70.040 (3)0.029 (3)0.033 (3)0.010 (2)0.007 (2)0.002 (2)
Geometric parameters (Å, º) top
Mo1—O31.694 (3)N1—C41.465 (6)
Mo1—O51.751 (3)N1—C61.484 (7)
Mo1—O101.915 (3)N1—H10.9100
Mo1—O7i1.927 (3)N2—C21.439 (6)
Mo1—O14i2.153 (3)N2—C61.463 (7)
Mo1—O72.411 (3)N2—C51.465 (7)
Mo2—O81.699 (3)N3—C11.440 (6)
Mo2—O131.722 (3)N3—C41.481 (6)
Mo2—O141.900 (3)N3—C51.491 (6)
Mo2—O11.972 (3)N3—H30.8944
Mo2—O72.244 (3)N4—C71.508 (6)
Mo2—O52.344 (3)N4—C11.522 (6)
Mo3—O111.698 (3)N4—C31.534 (6)
Mo3—O61.701 (3)N4—C21.539 (6)
Mo3—O121.8874 (7)N5—C71.376 (6)
Mo3—O22.113 (3)N5—H5A0.8808
Mo3—O142.184 (3)N5—H5B0.8830
Mo3—O10i2.219 (3)C1—H1AA0.9700
Mo4—O91.703 (3)C1—H1BA0.9700
Mo4—O41.710 (3)C2—H2AA0.9700
Mo4—O11.887 (3)C2—H2BA0.9700
Mo4—O2i2.028 (3)C3—H3A0.9700
Mo4—O102.201 (3)C3—H3B0.9700
Mo4—O72.253 (3)C4—H4AA0.9700
OW1—HW1A0.8482C4—H4BA0.9700
OW1—HW1B0.8599C5—H5AA0.9700
OW2—HW2A0.8422C5—H5BA0.9700
OW2—HW2B0.8546C6—H6AA0.9700
OW3—HW3A0.8656C6—H6BA0.9700
OW3—HW3B0.8539C7—H7AA0.9700
N1—C31.446 (7)C7—H7BA0.9700
O3—Mo1—O5103.45 (14)Mo2—O14—Mo1i106.42 (12)
O3—Mo1—O10104.52 (13)Mo2—O14—Mo3150.81 (15)
O5—Mo1—O1099.93 (13)Mo1i—O14—Mo3101.88 (12)
O3—Mo1—O7i102.87 (13)HW1A—OW1—HW1B108.8
O5—Mo1—O7i99.23 (13)HW2A—OW2—HW2B110.1
O10—Mo1—O7i141.64 (12)HW3A—OW3—HW3B84.1
O3—Mo1—O14i96.78 (13)C3—N1—C4110.4 (4)
O5—Mo1—O14i159.72 (12)C3—N1—C6109.2 (4)
O10—Mo1—O14i75.99 (11)C4—N1—C6108.8 (4)
O7i—Mo1—O14i74.56 (12)C3—N1—H1109.5
O3—Mo1—O7179.26 (13)C4—N1—H1109.5
O5—Mo1—O776.98 (12)C6—N1—H1109.5
O10—Mo1—O775.96 (11)C2—N2—C6109.4 (4)
O7i—Mo1—O776.45 (12)C2—N2—C5109.9 (4)
O14i—Mo1—O782.77 (10)C6—N2—C5109.1 (4)
O8—Mo2—O13104.28 (15)C1—N3—C4110.2 (4)
O8—Mo2—O1499.49 (14)C1—N3—C5109.0 (4)
O13—Mo2—O14104.14 (14)C4—N3—C5108.8 (4)
O8—Mo2—O194.95 (14)C1—N3—H3109.6
O13—Mo2—O1102.62 (14)C4—N3—H3109.8
O14—Mo2—O1145.24 (12)C5—N3—H3109.5
O8—Mo2—O799.72 (13)C7—N4—C1110.8 (4)
O13—Mo2—O7155.95 (13)C7—N4—C3111.1 (4)
O14—Mo2—O772.90 (11)C1—N4—C3109.1 (4)
O1—Mo2—O773.59 (11)C7—N4—C2110.0 (4)
O8—Mo2—O5168.69 (12)C1—N4—C2107.7 (4)
O13—Mo2—O585.70 (13)C3—N4—C2108.0 (4)
O14—Mo2—O582.87 (11)C7—N5—H5A109.1
O1—Mo2—O577.43 (11)C7—N5—H5B109.6
O7—Mo2—O570.26 (10)H5A—N5—H5B108.7
O11—Mo3—O6104.97 (16)N3—C1—N4109.8 (4)
O11—Mo3—O1298.54 (11)N3—C1—H1AA109.7
O6—Mo3—O12105.09 (11)N4—C1—H1AA109.7
O11—Mo3—O290.37 (14)N3—C1—H1BA109.7
O6—Mo3—O288.18 (13)N4—C1—H1BA109.7
O12—Mo3—O2161.35 (8)H1AA—C1—H1BA108.2
O11—Mo3—O14160.14 (13)N2—C2—N4109.6 (4)
O6—Mo3—O1492.65 (14)N2—C2—H2AA109.8
O12—Mo3—O1485.33 (8)N4—C2—H2AA109.8
O2—Mo3—O1480.94 (11)N2—C2—H2BA109.8
O11—Mo3—O10i90.74 (14)N4—C2—H2BA109.8
O6—Mo3—O10i153.34 (13)H2AA—C2—H2BA108.2
O12—Mo3—O10i93.41 (7)N1—C3—N4108.9 (4)
O2—Mo3—O10i69.99 (11)N1—C3—H3A109.9
O14—Mo3—O10i69.54 (10)N4—C3—H3A109.9
O9—Mo4—O4104.12 (15)N1—C3—H3B109.9
O9—Mo4—O199.28 (14)N4—C3—H3B109.9
O4—Mo4—O1103.86 (14)H3A—C3—H3B108.3
O9—Mo4—O2i98.16 (14)N1—C4—N3110.6 (4)
O4—Mo4—O2i91.41 (14)N1—C4—H4AA109.5
O1—Mo4—O2i153.16 (12)N3—C4—H4AA109.5
O9—Mo4—O1092.97 (13)N1—C4—H4BA109.5
O4—Mo4—O10157.78 (13)N3—C4—H4BA109.5
O1—Mo4—O1086.96 (11)H4AA—C4—H4BA108.1
O2i—Mo4—O1071.89 (11)N2—C5—N3110.6 (4)
O9—Mo4—O7166.12 (13)N2—C5—H5AA109.5
O4—Mo4—O789.60 (13)N3—C5—H5AA109.5
O1—Mo4—O774.92 (11)N2—C5—H5BA109.5
O2i—Mo4—O783.39 (11)N3—C5—H5BA109.5
O10—Mo4—O774.32 (10)H5AA—C5—H5BA108.1
Mo4—O1—Mo2114.59 (15)N2—C6—N1111.4 (4)
Mo4i—O2—Mo3111.44 (13)N2—C6—H6AA109.3
Mo1—O5—Mo2115.88 (14)N1—C6—H6AA109.3
Mo1i—O7—Mo2102.06 (12)N2—C6—H6BA109.3
Mo1i—O7—Mo4154.82 (15)N1—C6—H6BA109.3
Mo2—O7—Mo492.43 (11)H6AA—C6—H6BA108.0
Mo1i—O7—Mo1103.55 (12)N5—C7—N4111.0 (4)
Mo2—O7—Mo196.85 (11)N5—C7—H7AA109.4
Mo4—O7—Mo194.91 (10)N4—C7—H7AA109.4
Mo1—O10—Mo4113.10 (13)N5—C7—H7BA109.4
Mo1—O10—Mo3i108.87 (13)N4—C7—H7BA109.4
Mo4—O10—Mo3i101.45 (11)H7AA—C7—H7BA108.0
Mo3—O12—Mo3ii180.0
O9—Mo4—O1—Mo2174.66 (15)O7i—Mo1—O10—Mo455.9 (2)
O4—Mo4—O1—Mo267.52 (18)O14i—Mo1—O10—Mo496.63 (14)
O2i—Mo4—O1—Mo255.4 (3)O7—Mo1—O10—Mo410.72 (11)
O10—Mo4—O1—Mo292.82 (15)O3—Mo1—O10—Mo3i78.19 (16)
O7—Mo4—O1—Mo218.24 (13)O5—Mo1—O10—Mo3i175.00 (13)
O8—Mo2—O1—Mo480.25 (17)O7i—Mo1—O10—Mo3i56.1 (2)
O13—Mo2—O1—Mo4173.90 (15)O14i—Mo1—O10—Mo3i15.32 (11)
O14—Mo2—O1—Mo434.3 (3)O7—Mo1—O10—Mo3i101.23 (13)
O7—Mo2—O1—Mo418.44 (13)O9—Mo4—O10—Mo1162.76 (16)
O5—Mo2—O1—Mo491.28 (15)O4—Mo4—O10—Mo156.7 (4)
O11—Mo3—O2—Mo4i71.94 (16)O1—Mo4—O10—Mo163.62 (15)
O6—Mo3—O2—Mo4i176.90 (16)O2i—Mo4—O10—Mo199.62 (16)
O12—Mo3—O2—Mo4i47.0 (3)O7—Mo4—O10—Mo111.57 (12)
O14—Mo3—O2—Mo4i90.13 (14)O9—Mo4—O10—Mo3i80.81 (14)
O10i—Mo3—O2—Mo4i18.71 (12)O4—Mo4—O10—Mo3i59.8 (3)
O3—Mo1—O5—Mo2179.35 (14)O1—Mo4—O10—Mo3i179.96 (12)
O10—Mo1—O5—Mo271.68 (16)O2i—Mo4—O10—Mo3i16.81 (11)
O7i—Mo1—O5—Mo274.93 (16)O7—Mo4—O10—Mo3i104.86 (12)
O14i—Mo1—O5—Mo24.7 (4)O8—Mo2—O14—Mo1i82.64 (15)
O7—Mo1—O5—Mo21.27 (12)O13—Mo2—O14—Mo1i169.90 (13)
O8—Mo2—O5—Mo127.1 (7)O1—Mo2—O14—Mo1i30.6 (3)
O13—Mo2—O5—Mo1179.40 (18)O7—Mo2—O14—Mo1i14.70 (11)
O14—Mo2—O5—Mo175.74 (16)O5—Mo2—O14—Mo1i86.18 (13)
O1—Mo2—O5—Mo175.45 (16)O8—Mo2—O14—Mo382.7 (3)
O7—Mo2—O5—Mo11.41 (13)O13—Mo2—O14—Mo324.7 (3)
O8—Mo2—O7—Mo1i80.89 (15)O1—Mo2—O14—Mo3164.0 (2)
O13—Mo2—O7—Mo1i102.6 (3)O7—Mo2—O14—Mo3179.9 (3)
O14—Mo2—O7—Mo1i16.14 (12)O5—Mo2—O14—Mo3108.4 (3)
O1—Mo2—O7—Mo1i173.22 (14)O11—Mo3—O14—Mo2174.0 (3)
O5—Mo2—O7—Mo1i104.56 (13)O6—Mo3—O14—Mo221.3 (3)
O8—Mo2—O7—Mo478.39 (14)O12—Mo3—O14—Mo283.7 (3)
O13—Mo2—O7—Mo498.2 (3)O2—Mo3—O14—Mo2109.0 (3)
O14—Mo2—O7—Mo4175.41 (13)O10i—Mo3—O14—Mo2179.1 (3)
O1—Mo2—O7—Mo413.95 (10)O11—Mo3—O14—Mo1i20.3 (4)
O5—Mo2—O7—Mo496.17 (12)O6—Mo3—O14—Mo1i173.07 (13)
O8—Mo2—O7—Mo1173.62 (12)O12—Mo3—O14—Mo1i82.00 (9)
O13—Mo2—O7—Mo12.9 (3)O2—Mo3—O14—Mo1i85.33 (12)
O14—Mo2—O7—Mo189.35 (12)O10i—Mo3—O14—Mo1i13.41 (10)
O1—Mo2—O7—Mo181.29 (12)C4—N3—C1—N458.6 (5)
O5—Mo2—O7—Mo10.93 (9)C5—N3—C1—N460.7 (5)
O9—Mo4—O7—Mo1i153.1 (5)C7—N4—C1—N3179.8 (4)
O4—Mo4—O7—Mo1i35.6 (4)C3—N4—C1—N357.6 (5)
O1—Mo4—O7—Mo1i140.1 (4)C2—N4—C1—N359.4 (5)
O2i—Mo4—O7—Mo1i55.9 (3)C6—N2—C2—N459.8 (5)
O10—Mo4—O7—Mo1i128.9 (4)C5—N2—C2—N459.9 (5)
O9—Mo4—O7—Mo281.3 (6)C7—N4—C2—N2179.4 (4)
O4—Mo4—O7—Mo289.98 (13)C1—N4—C2—N258.6 (5)
O1—Mo4—O7—Mo214.50 (11)C3—N4—C2—N259.1 (5)
O2i—Mo4—O7—Mo2178.55 (11)C4—N1—C3—N459.5 (5)
O10—Mo4—O7—Mo2105.56 (11)C6—N1—C3—N460.1 (5)
O9—Mo4—O7—Mo115.8 (6)C7—N4—C3—N1180.0 (4)
O4—Mo4—O7—Mo1172.92 (13)C1—N4—C3—N157.6 (5)
O1—Mo4—O7—Mo182.60 (12)C2—N4—C3—N159.2 (5)
O2i—Mo4—O7—Mo181.46 (11)C3—N1—C4—N361.0 (5)
O10—Mo4—O7—Mo18.46 (9)C6—N1—C4—N358.8 (5)
O5—Mo1—O7—Mo1i103.01 (14)C1—N3—C4—N160.2 (5)
O10—Mo1—O7—Mo1i153.09 (15)C5—N3—C4—N159.2 (5)
O7i—Mo1—O7—Mo1i0.0C2—N2—C5—N361.0 (6)
O14i—Mo1—O7—Mo1i75.79 (13)C6—N2—C5—N358.9 (5)
O5—Mo1—O7—Mo21.20 (11)C1—N3—C5—N261.1 (6)
O10—Mo1—O7—Mo2102.70 (12)C4—N3—C5—N259.0 (5)
O7i—Mo1—O7—Mo2104.21 (14)C2—N2—C6—N161.2 (6)
O14i—Mo1—O7—Mo2180.00 (11)C5—N2—C6—N159.0 (6)
O5—Mo1—O7—Mo494.24 (13)C3—N1—C6—N261.6 (6)
O10—Mo1—O7—Mo49.66 (10)C4—N1—C6—N259.0 (5)
O7i—Mo1—O7—Mo4162.75 (17)C1—N4—C7—N570.2 (5)
O14i—Mo1—O7—Mo486.96 (11)C3—N4—C7—N551.3 (5)
O3—Mo1—O10—Mo4169.86 (14)C2—N4—C7—N5170.8 (4)
O5—Mo1—O10—Mo463.04 (16)
Symmetry codes: (i) x+1, y, z+1; (ii) x, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
OW1—HW1A···O4ii0.852.252.969 (6)143
OW1—HW1B···O110.862.382.911 (5)121
OW1—HW1B···O8ii0.862.202.936 (5)143
OW2—HW2A···O11iii0.842.292.938 (5)134
OW2—HW2B···OW1iii0.852.162.793 (6)130
OW3—HW3A···O6iv0.872.102.936 (5)163
OW3—HW3B···OW2iv0.851.982.764 (6)152
N1—H1···OW3v0.912.122.976 (6)156
N3—H3···O20.892.012.825 (5)150
N5—H5A···O130.881.872.746 (5)178
Symmetry codes: (ii) x, y, z+1; (iii) x, y, z+2; (iv) x, y+1, z+1; (v) x+1, y+1, z+1.
 

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