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The title compound, tetrapotassium bis­(glycine)­hexacosa­oxooctamolybdenum(VI) hexahydrate, K4[Mo8O26(NH3CH2COO)2]·6H2O, consists of a molecular network of centrosymmetric [Mo8O26(NH3CH2COO)2]4- anions, K+ cations and water mol­ecules, which interact by an extensive hydrogen-bonding network. The [Mo8O26(NH3CH2COO)2]4- anion is constructed from MoO6 and MoO5(OOCCH2NH3) octahedral units, where the latter has O atoms of terminal and bridging oxo groups as well as those of glycine ligands.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680401308X/hb6046sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680401308X/hb6046Isup2.hkl
Contains datablock I

CCDC reference: 245115

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.012 Å
  • H-atom completeness 46%
  • R factor = 0.041
  • wR factor = 0.112
  • Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97 PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 2.75 Sigma 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 PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.73 Ratio PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.69 Ratio
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: C4 H22 K4 Mo8 N2 O36 Atom count from _chemical_formula_moiety:C4 H22 K4 Mo6 N2 O36 FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C4 H22 K4 Mo8 N2 O36 Atom count from the _atom_site data: C4 H10 K4 Mo8 N2 O36 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 1 From the CIF: _chemical_formula_sum C4 H22 K4 Mo8 N2 O36 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 4.00 4.00 0.00 H 22.00 10.00 12.00 K 4.00 4.00 0.00 Mo 8.00 8.00 0.00 N 2.00 2.00 0.00 O 36.00 36.00 0.00
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 7 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 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1994); cell refinement: SMART; data reduction: SAINT (Siemens, 1994); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97; molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.

Tetrapotassium bis(glycine)hexacosaoxooctamolybdenum(VI) hexahydrate top
Crystal data top
K4[Mo8O26(C2H5NO2)2]·6H2OV = 878.66 (5) Å3
Mr = 1598.16Z = 1
Triclinic, P1F(000) = 760
Hall symbol: -P 1Dx = 3.020 Mg m3
a = 8.1065 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 9.8767 (2) ŵ = 3.35 mm1
c = 12.4936 (5) ÅT = 293 K
α = 98.638 (2)°Block, yellow
β = 99.295 (2)°0.22 × 0.14 × 0.10 mm
γ = 113.606 (1)°
Data collection top
Bruker SMART CCD
diffractometer
3026 independent reflections
Radiation source: fine-focus sealed tube2740 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
ω scansθmax = 25.0°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 99
Tmin = 0.523, Tmax = 0.715k = 1111
4462 measured reflectionsl = 1314
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)] = 0.041H-atom parameters constrained
wR(F2) = 0.112 w = 1/[σ2(Fo2) + (0.0581P)2 + 9.0351P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.010
3026 reflectionsΔρmax = 0.80 e Å3
245 parametersΔρmin = 1.03 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0011 (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
K10.6497 (3)0.3573 (2)0.01667 (16)0.0303 (4)
K20.1223 (3)0.3490 (2)0.35463 (18)0.0361 (5)
Mo10.20526 (8)0.35655 (7)0.16523 (5)0.01592 (19)
Mo20.14873 (8)0.11665 (7)0.32640 (5)0.01577 (19)
Mo30.15764 (8)0.00546 (7)0.07868 (5)0.01348 (19)
Mo40.03268 (9)0.23935 (7)0.09631 (5)0.01641 (19)
O10.3136 (7)0.2506 (6)0.2553 (4)0.0183 (11)
O20.1167 (7)0.1517 (6)0.0226 (4)0.0176 (10)
O30.0327 (7)0.1672 (5)0.2013 (4)0.0168 (10)
O40.0207 (7)0.3649 (6)0.0507 (4)0.0194 (11)
O50.4017 (7)0.4528 (6)0.1232 (5)0.0261 (12)
O60.2024 (8)0.4834 (6)0.2743 (4)0.0243 (12)
O70.0515 (7)0.0504 (6)0.1757 (4)0.0173 (10)
O80.0915 (7)0.0462 (6)0.3509 (4)0.0246 (12)
O90.1512 (7)0.2525 (6)0.4312 (4)0.0243 (12)
O100.2952 (8)0.0495 (6)0.3878 (4)0.0252 (12)
O110.3455 (7)0.1198 (6)0.1186 (4)0.0245 (12)
O120.2486 (7)0.0725 (6)0.0176 (4)0.0195 (11)
O130.1450 (8)0.3586 (6)0.1427 (5)0.0289 (13)
O140.2239 (8)0.2513 (6)0.1666 (4)0.0270 (12)
O150.2714 (8)0.0686 (7)0.3951 (6)0.0357 (14)
O160.5777 (9)0.1929 (8)0.1751 (5)0.0382 (15)
O170.3741 (9)0.4132 (8)0.4563 (6)0.0432 (16)
O180.0106 (11)0.6684 (8)0.3841 (6)0.0479 (18)
C10.2441 (10)0.0439 (9)0.3676 (6)0.0225 (16)
C20.3973 (11)0.2020 (9)0.3536 (7)0.0247 (17)
H2A0.35070.25680.39890.030*
H2B0.43350.25720.27620.030*
N10.5636 (10)0.1956 (8)0.3874 (6)0.0312 (16)
H1A0.65060.28970.37840.047*
H1B0.53110.14640.45870.047*
H1C0.60790.14700.34510.047*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
K10.0274 (9)0.0269 (9)0.0304 (10)0.0084 (8)0.0046 (8)0.0021 (8)
K20.0374 (11)0.0322 (10)0.0448 (12)0.0193 (9)0.0163 (9)0.0075 (9)
Mo10.0179 (3)0.0137 (3)0.0131 (3)0.0049 (3)0.0021 (2)0.0020 (2)
Mo20.0170 (3)0.0167 (3)0.0114 (3)0.0064 (3)0.0010 (2)0.0023 (2)
Mo30.0132 (3)0.0142 (3)0.0115 (3)0.0053 (2)0.0025 (2)0.0013 (2)
Mo40.0203 (3)0.0145 (3)0.0132 (3)0.0076 (3)0.0015 (2)0.0028 (2)
O10.018 (3)0.020 (3)0.016 (3)0.007 (2)0.002 (2)0.006 (2)
O20.019 (3)0.015 (2)0.015 (2)0.006 (2)0.001 (2)0.001 (2)
O30.014 (2)0.016 (2)0.016 (2)0.004 (2)0.001 (2)0.002 (2)
O40.026 (3)0.020 (3)0.012 (2)0.014 (2)0.000 (2)0.002 (2)
O50.019 (3)0.028 (3)0.029 (3)0.005 (2)0.007 (2)0.013 (2)
O60.034 (3)0.018 (3)0.020 (3)0.013 (2)0.005 (2)0.002 (2)
O70.016 (2)0.020 (3)0.016 (2)0.009 (2)0.003 (2)0.003 (2)
O80.025 (3)0.029 (3)0.020 (3)0.011 (2)0.008 (2)0.007 (2)
O90.024 (3)0.027 (3)0.016 (3)0.008 (2)0.001 (2)0.001 (2)
O100.025 (3)0.029 (3)0.021 (3)0.014 (2)0.001 (2)0.005 (2)
O110.015 (3)0.032 (3)0.023 (3)0.006 (2)0.003 (2)0.009 (2)
O120.022 (3)0.020 (3)0.018 (3)0.011 (2)0.005 (2)0.004 (2)
O130.029 (3)0.022 (3)0.026 (3)0.003 (2)0.011 (2)0.001 (2)
O140.033 (3)0.030 (3)0.021 (3)0.020 (3)0.001 (2)0.004 (2)
O150.029 (3)0.024 (3)0.053 (4)0.009 (3)0.011 (3)0.011 (3)
O160.033 (3)0.051 (4)0.039 (4)0.024 (3)0.014 (3)0.014 (3)
O170.039 (4)0.042 (4)0.045 (4)0.018 (3)0.009 (3)0.003 (3)
O180.072 (5)0.050 (4)0.039 (4)0.040 (4)0.025 (4)0.014 (3)
C10.019 (4)0.023 (4)0.013 (4)0.000 (3)0.003 (3)0.002 (3)
C20.022 (4)0.029 (4)0.023 (4)0.009 (3)0.007 (3)0.009 (3)
N10.027 (4)0.029 (4)0.032 (4)0.008 (3)0.002 (3)0.007 (3)
Geometric parameters (Å, º) top
K1—O13i2.685 (6)Mo3—O111.697 (5)
K1—O112.696 (6)Mo3—O121.741 (5)
K1—O162.733 (7)Mo3—O31.900 (5)
K1—O5i2.850 (6)Mo3—O21.941 (5)
K1—O14ii2.879 (6)Mo3—O72.154 (5)
K1—O4ii2.937 (5)Mo3—O2iv2.431 (5)
K1—O52.951 (6)Mo4—O131.706 (5)
K1—O12iii3.223 (5)Mo4—O141.711 (5)
K1—O4i3.305 (6)Mo4—O71.912 (5)
K1—Mo4ii3.614 (2)Mo4—O41.931 (5)
K1—Mo4i3.7952 (19)Mo4—O22.251 (5)
K1—Mo1i3.829 (2)Mo4—O12iv2.341 (5)
K2—O15iv2.706 (6)Mo4—K1v3.614 (2)
K2—O16v2.742 (7)Mo4—K1i3.7952 (19)
K2—O172.795 (7)O1—Mo1iv1.975 (5)
K2—O3iv2.808 (5)O2—Mo3iv2.431 (5)
K2—O9iv2.832 (6)O3—Mo1iv2.251 (5)
K2—O182.837 (7)O3—K2iv2.808 (5)
K2—O62.855 (6)O4—K1v2.937 (5)
K2—O18vi3.293 (7)O4—K1i3.305 (6)
K2—Mo2iv3.777 (2)O5—K1i2.850 (6)
K2—Mo13.819 (2)O8—C11.296 (10)
K2—K2vi3.963 (4)O9—K2iv2.832 (6)
K2—K1v4.354 (3)O12—Mo4iv2.341 (5)
Mo1—O51.709 (5)O12—K1iii3.223 (5)
Mo1—O61.717 (5)O13—K1i2.685 (6)
Mo1—O41.933 (5)O14—K1v2.879 (6)
Mo1—O1iv1.975 (5)O15—C11.228 (10)
Mo1—O3iv2.251 (5)O15—K2iv2.706 (6)
Mo1—O22.264 (5)O16—K2ii2.742 (7)
Mo1—K1i3.829 (2)O18—K2vi3.293 (7)
Mo2—O101.711 (5)C1—C21.518 (11)
Mo2—O91.720 (5)C2—N11.497 (10)
Mo2—O11.910 (5)C2—H2A0.9700
Mo2—O82.075 (5)C2—H2B0.9700
Mo2—O72.106 (5)N1—H1A0.8900
Mo2—O32.222 (5)N1—H1B0.8900
Mo2—K2iv3.777 (2)N1—H1C0.8900
O13i—K1—O11157.01 (19)O1iv—Mo1—O3iv73.11 (19)
O13i—K1—O16101.9 (2)O5—Mo1—O291.1 (2)
O11—K1—O1684.81 (18)O6—Mo1—O2162.4 (2)
O13i—K1—O5i75.59 (17)O4—Mo1—O273.28 (19)
O11—K1—O5i89.31 (17)O1iv—Mo1—O285.67 (19)
O16—K1—O5i155.85 (18)O3iv—Mo1—O274.06 (18)
O13i—K1—O14ii118.80 (18)O5—Mo1—K2150.1 (2)
O11—K1—O14ii74.90 (17)O6—Mo1—K244.35 (19)
O16—K1—O14ii118.86 (18)O4—Mo1—K285.82 (16)
O5i—K1—O14ii81.78 (17)O1iv—Mo1—K291.13 (15)
O13i—K1—O4ii79.92 (17)O3iv—Mo1—K246.81 (13)
O11—K1—O4ii122.48 (16)O2—Mo1—K2118.48 (13)
O16—K1—O4ii89.31 (17)O5—Mo1—K1i43.71 (19)
O5i—K1—O4ii113.40 (16)O6—Mo1—K1i94.95 (18)
O14ii—K1—O4ii58.69 (15)O4—Mo1—K1i59.66 (16)
O13i—K1—O572.40 (17)O1iv—Mo1—K1i138.98 (15)
O11—K1—O588.35 (17)O3iv—Mo1—K1i145.89 (13)
O16—K1—O575.62 (17)O2—Mo1—K1i94.01 (13)
O5i—K1—O580.83 (17)K2—Mo1—K1i123.75 (4)
O14ii—K1—O5155.92 (17)O10—Mo2—O9105.2 (3)
O4ii—K1—O5144.63 (15)O10—Mo2—O198.5 (2)
O13i—K1—O12iii129.43 (17)O9—Mo2—O197.9 (2)
O11—K1—O12iii73.45 (15)O10—Mo2—O895.9 (2)
O16—K1—O12iii66.27 (16)O9—Mo2—O891.1 (2)
O5i—K1—O12iii133.94 (16)O1—Mo2—O8160.3 (2)
O14ii—K1—O12iii52.77 (14)O10—Mo2—O794.0 (2)
O4ii—K1—O12iii52.33 (14)O9—Mo2—O7159.0 (2)
O5—K1—O12iii138.74 (15)O1—Mo2—O787.4 (2)
O13i—K1—O4i53.79 (15)O8—Mo2—O778.3 (2)
O11—K1—O4i128.85 (15)O10—Mo2—O3163.0 (2)
O16—K1—O4i143.42 (17)O9—Mo2—O391.3 (2)
O5i—K1—O4i53.46 (14)O1—Mo2—O374.97 (19)
O14ii—K1—O4i66.95 (15)O8—Mo2—O387.5 (2)
O4ii—K1—O4i61.98 (16)O7—Mo2—O370.37 (18)
O5—K1—O4i114.11 (14)O10—Mo2—K2iv149.36 (19)
O12iii—K1—O4i105.97 (13)O9—Mo2—K2iv44.90 (18)
O13i—K1—Mo4ii106.33 (14)O1—Mo2—K2iv93.45 (15)
O11—K1—Mo4ii93.63 (13)O8—Mo2—K2iv80.67 (15)
O16—K1—Mo4ii101.43 (14)O7—Mo2—K2iv114.78 (13)
O5i—K1—Mo4ii102.31 (13)O3—Mo2—K2iv47.60 (13)
O14ii—K1—Mo4ii27.70 (11)O11—Mo3—O12103.9 (2)
O4ii—K1—Mo4ii32.22 (9)O11—Mo3—O3104.0 (2)
O5—K1—Mo4ii176.30 (12)O12—Mo3—O3100.0 (2)
O12iii—K1—Mo4ii39.52 (9)O11—Mo3—O2101.9 (2)
O4i—K1—Mo4ii66.91 (9)O12—Mo3—O299.6 (2)
O13i—K1—Mo4i23.42 (12)O3—Mo3—O2142.4 (2)
O11—K1—Mo4i154.38 (13)O11—Mo3—O799.1 (2)
O16—K1—Mo4i120.09 (15)O12—Mo3—O7156.9 (2)
O5i—K1—Mo4i65.53 (12)O3—Mo3—O775.7 (2)
O14ii—K1—Mo4i95.74 (12)O2—Mo3—O773.7 (2)
O4ii—K1—Mo4i67.83 (10)O11—Mo3—O2iv177.8 (2)
O5—K1—Mo4i92.09 (11)O12—Mo3—O2iv78.0 (2)
O12iii—K1—Mo4i120.09 (11)O3—Mo3—O2iv76.67 (19)
O4i—K1—Mo4i30.58 (8)O2—Mo3—O2iv76.5 (2)
Mo4ii—K1—Mo4i87.49 (4)O7—Mo3—O2iv78.99 (18)
O13i—K1—Mo1i68.87 (13)O11—Mo3—K133.62 (18)
O11—K1—Mo1i103.79 (12)O12—Mo3—K185.86 (17)
O16—K1—Mo1i170.73 (15)O3—Mo3—K1135.84 (15)
O5i—K1—Mo1i24.48 (11)O2—Mo3—K177.26 (15)
O14ii—K1—Mo1i67.56 (12)O7—Mo3—K1113.26 (13)
O4ii—K1—Mo1i88.92 (11)O2iv—Mo3—K1146.27 (12)
O5—K1—Mo1i100.85 (11)O13—Mo4—O14103.8 (3)
O12iii—K1—Mo1i119.14 (10)O13—Mo4—O798.2 (2)
O4i—K1—Mo1i30.32 (9)O14—Mo4—O7103.5 (2)
Mo4ii—K1—Mo1i81.73 (4)O13—Mo4—O498.8 (2)
Mo4i—K1—Mo1i51.00 (3)O14—Mo4—O4102.9 (2)
O15iv—K2—O16v77.8 (2)O7—Mo4—O4144.0 (2)
O15iv—K2—O1787.8 (2)O13—Mo4—O2101.7 (2)
O16v—K2—O1784.3 (2)O14—Mo4—O2154.5 (2)
O15iv—K2—O3iv74.99 (18)O7—Mo4—O272.03 (19)
O16v—K2—O3iv71.36 (17)O4—Mo4—O273.62 (19)
O17—K2—O3iv152.52 (19)O13—Mo4—O12iv173.0 (2)
O15iv—K2—O9iv67.63 (18)O14—Mo4—O12iv83.1 (2)
O16v—K2—O9iv125.86 (18)O7—Mo4—O12iv80.57 (19)
O17—K2—O9iv132.1 (2)O4—Mo4—O12iv78.8 (2)
O3iv—K2—O9iv60.47 (15)O2—Mo4—O12iv71.36 (18)
O15iv—K2—O18160.4 (2)O13—Mo4—K1v122.7 (2)
O16v—K2—O18111.8 (2)O14—Mo4—K1v51.48 (19)
O17—K2—O1876.6 (2)O7—Mo4—K1v134.48 (15)
O3iv—K2—O18123.80 (19)O4—Mo4—K1v54.20 (15)
O9iv—K2—O18114.7 (2)O2—Mo4—K1v113.33 (13)
O15iv—K2—O6127.75 (18)O12iv—Mo4—K1v61.19 (13)
O16v—K2—O6108.65 (18)O13—Mo4—K1i38.72 (19)
O17—K2—O6143.52 (19)O14—Mo4—K1i105.12 (19)
O3iv—K2—O660.05 (15)O7—Mo4—K1i132.87 (15)
O9iv—K2—O667.78 (16)O4—Mo4—K1i60.54 (16)
O18—K2—O666.92 (18)O2—Mo4—K1i95.15 (13)
O15iv—K2—O18vi64.14 (19)O12iv—Mo4—K1i139.29 (13)
O16v—K2—O18vi136.6 (2)K1v—Mo4—K1i92.51 (4)
O17—K2—O18vi74.7 (2)Mo2—O1—Mo1iv115.0 (2)
O3iv—K2—O18vi114.67 (17)Mo3—O2—Mo4102.1 (2)
O9iv—K2—O18vi57.76 (17)Mo3—O2—Mo1154.6 (3)
O18—K2—O18vi99.81 (18)Mo4—O2—Mo193.29 (18)
O6—K2—O18vi110.78 (19)Mo3—O2—Mo3iv103.5 (2)
O15iv—K2—Mo2iv63.07 (14)Mo4—O2—Mo3iv95.33 (18)
O16v—K2—Mo2iv101.65 (14)Mo1—O2—Mo3iv94.99 (18)
O17—K2—Mo2iv147.63 (16)Mo3—O3—Mo2108.3 (2)
O3iv—K2—Mo2iv35.75 (10)Mo3—O3—Mo1iv112.8 (2)
O9iv—K2—Mo2iv25.38 (11)Mo2—O3—Mo1iv94.25 (18)
O18—K2—Mo2iv127.77 (17)Mo3—O3—K2iv138.4 (2)
O6—K2—Mo2iv64.90 (11)Mo2—O3—K2iv96.65 (17)
O18vi—K2—Mo2iv79.70 (13)Mo1iv—O3—K2iv97.43 (17)
O15iv—K2—Mo1108.62 (15)Mo4—O4—Mo1116.3 (2)
O16v—K2—Mo190.23 (14)Mo4—O4—K1v93.57 (18)
O17—K2—Mo1161.22 (16)Mo1—O4—K1v140.0 (2)
O3iv—K2—Mo135.76 (10)Mo4—O4—K1i88.89 (18)
O9iv—K2—Mo164.89 (12)Mo1—O4—K1i90.02 (18)
O18—K2—Mo188.89 (15)K1v—O4—K1i118.02 (16)
O6—K2—Mo124.86 (10)Mo1—O5—K1i111.8 (3)
O18vi—K2—Mo1120.21 (14)Mo1—O5—K1133.4 (3)
Mo2iv—K2—Mo151.12 (3)K1i—O5—K199.17 (17)
O15iv—K2—K2vi108.19 (17)Mo1—O6—K2110.8 (2)
O16v—K2—K2vi150.40 (16)Mo4—O7—Mo2148.4 (3)
O17—K2—K2vi67.34 (15)Mo4—O7—Mo3106.7 (2)
O3iv—K2—K2vi138.16 (13)Mo2—O7—Mo3103.5 (2)
O9iv—K2—K2vi81.69 (12)C1—O8—Mo2133.0 (5)
O18—K2—K2vi54.95 (15)Mo2—O9—K2iv109.7 (2)
O6—K2—K2vi90.81 (12)Mo3—O11—K1126.0 (3)
O18vi—K2—K2vi44.86 (13)Mo3—O12—Mo4iv115.3 (2)
Mo2iv—K2—K2vi106.84 (8)Mo3—O12—K1iii131.2 (2)
Mo1—K2—K2vi113.84 (8)Mo4iv—O12—K1iii79.29 (14)
O15iv—K2—K1v112.85 (15)Mo4—O13—K1i117.9 (3)
O16v—K2—K1v37.26 (14)Mo4—O14—K1v100.8 (2)
O17—K2—K1v97.69 (16)C1—O15—K2iv131.5 (5)
O3iv—K2—K1v70.63 (11)K1—O16—K2ii105.3 (2)
O9iv—K2—K1v129.31 (12)K2—O18—K2vi80.19 (18)
O18—K2—K1v81.37 (15)O15—C1—O8127.2 (7)
O6—K2—K1v77.33 (12)O15—C1—C2120.1 (7)
O18vi—K2—K1v171.66 (15)O8—C1—C2112.7 (7)
Mo2iv—K2—K1v106.21 (5)N1—C2—C1111.6 (7)
Mo1—K2—K1v67.96 (4)N1—C2—H2A109.3
K2vi—K2—K1v135.61 (8)C1—C2—H2A109.3
O5—Mo1—O6105.8 (3)N1—C2—H2B109.3
O5—Mo1—O4100.2 (2)C1—C2—H2B109.3
O6—Mo1—O498.4 (2)H2A—C2—H2B108.0
O5—Mo1—O1iv95.3 (2)C2—N1—H1A109.5
O6—Mo1—O1iv97.4 (2)C2—N1—H1B109.5
O4—Mo1—O1iv154.0 (2)H1A—N1—H1B109.5
O5—Mo1—O3iv161.6 (2)C2—N1—H1C109.5
O6—Mo1—O3iv90.1 (2)H1A—N1—H1C109.5
O4—Mo1—O3iv86.2 (2)H1B—N1—H1C109.5
Symmetry codes: (i) x+1, y+1, z; (ii) x+1, y, z; (iii) x+1, y, z; (iv) x, y, z; (v) x1, y, z; (vi) x, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1A···O6i0.892.152.936 (9)147
N1—H1B···O10vii0.892.253.000 (9)142
N1—H1C···O14ii0.892.262.851 (9)124
N1—H1C···O10ii0.892.393.064 (9)133
Symmetry codes: (i) x+1, y+1, z; (ii) x+1, y, z; (vii) x, y, z1.
 

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