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In the title compound, {[Mn2{(O2P(OCH3)2}3(C2H6SO)3(H2O)]NO3·H2O}n, the octa­hedral MnII ions form a polymeric chain, being bridged by both dimethyl sulfoxide mol­ecules and dimethyl phosphate anions. A network of O—H...O hydrogen bonds helps to consolidate the crystal packing.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806034398/hb2132sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806034398/hb2132Isup2.hkl
Contains datablock I

CCDC reference: 624608

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • R factor = 0.049
  • wR factor = 0.090
  • Data-to-parameter ratio = 18.4

checkCIF/PLATON results

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No errors found in this datablock

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT-Plus (Bruker, 1998); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Poly[[aquatris(µ-dimethyl phosphato-κ2O,O')bis(µ-dimethyl sulfoxide-κO)(dimethyl sulfoxide-κO)dimanganese(II)] nitrate monohydrate] top
Crystal data top
[Mn2(C2H6O4P)3(C2H6SO)3(H2O)]·NO3·H2OF(000) = 3376
Mr = 817.42Dx = 1.682 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 6303 reflections
a = 15.398 (2) Åθ = 2.2–25.6°
b = 20.877 (3) ŵ = 1.20 mm1
c = 20.090 (3) ÅT = 120 K
β = 91.561 (4)°Prism, colorless
V = 6456.1 (16) Å30.20 × 0.15 × 0.15 mm
Z = 8
Data collection top
Bruker SMART1000 CCD
diffractometer
14050 independent reflections
Radiation source: normal-focus sealed tube7711 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.094
ω scansθmax = 27.0°, θmin = 1.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1998)
h = 1919
Tmin = 0.754, Tmax = 0.835k = 2626
71520 measured reflectionsl = 2525
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)] = 0.050Hydrogen site location: difmap and geom
wR(F2) = 0.090H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.0185P)2]
where P = (Fo2 + 2Fc2)/3
14050 reflections(Δ/σ)max = 0.002
763 parametersΔρmax = 1.20 e Å3
0 restraintsΔρmin = 0.55 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
Mn10.19250 (4)0.70751 (3)0.94844 (3)0.01580 (16)
Mn20.00436 (4)0.75565 (3)1.02701 (3)0.01672 (16)
Mn30.30470 (4)0.80312 (3)1.04146 (3)0.01552 (16)
Mn40.50564 (4)0.72632 (3)0.99901 (3)0.01653 (16)
S10.02397 (7)0.79493 (6)0.86921 (6)0.0210 (3)
S20.10823 (7)0.61039 (6)1.05840 (6)0.0200 (3)
S30.20554 (7)0.58922 (6)0.84349 (6)0.0208 (3)
S40.46882 (7)0.87336 (6)0.93957 (6)0.0232 (3)
S50.38981 (7)0.70167 (6)1.14802 (6)0.0232 (3)
S60.29387 (7)0.91708 (6)1.15620 (6)0.0218 (3)
P10.35833 (7)0.75341 (6)0.85760 (6)0.0205 (3)
P20.35399 (7)0.60424 (6)1.01858 (6)0.0179 (3)
P30.18122 (7)0.82760 (6)1.05641 (6)0.0193 (3)
P40.14111 (7)0.74390 (6)1.15314 (6)0.0172 (3)
P50.14084 (7)0.88701 (6)0.98817 (6)0.0187 (3)
P60.32313 (7)0.68601 (6)0.92926 (6)0.0180 (3)
O10.07095 (17)0.76393 (14)0.92900 (13)0.0189 (7)
O20.09018 (17)0.67060 (14)1.01683 (14)0.0195 (7)
O30.26445 (17)0.75063 (15)0.87206 (14)0.0256 (8)
O40.28230 (18)0.63854 (14)0.98279 (14)0.0241 (8)
O50.23249 (16)0.77640 (14)1.02282 (13)0.0178 (7)
O60.14122 (17)0.63308 (14)0.87728 (14)0.0208 (7)
O70.37755 (19)0.81758 (16)0.81771 (15)0.0339 (9)
O80.37395 (19)0.69761 (17)0.80684 (15)0.0347 (9)
O90.31332 (18)0.57665 (15)1.08407 (15)0.0252 (8)
O100.37663 (18)0.54040 (14)0.98043 (15)0.0249 (8)
O110.09217 (17)0.80921 (14)1.07731 (14)0.0213 (7)
O120.17346 (18)0.88898 (14)1.01089 (15)0.0244 (8)
O130.23603 (18)0.85549 (15)1.11674 (15)0.0248 (8)
O140.09456 (17)0.69943 (16)0.97011 (15)0.0346 (9)
H14D0.14900.70570.97240.052*
H14E0.08210.67200.94060.052*
O150.06104 (18)0.72578 (15)1.11719 (14)0.0242 (8)
O160.07276 (18)0.83830 (15)1.00060 (15)0.0264 (8)
O170.21226 (17)0.77596 (15)1.11473 (14)0.0226 (7)
O180.11466 (18)0.78490 (15)1.21670 (14)0.0228 (8)
O190.18288 (17)0.68284 (14)1.18730 (14)0.0216 (7)
O200.23346 (17)0.86680 (14)0.98220 (15)0.0246 (8)
O210.11286 (18)0.92191 (15)0.92223 (14)0.0253 (8)
O220.13914 (19)0.93993 (15)1.04445 (15)0.0276 (8)
O230.42804 (17)0.81994 (14)0.98221 (13)0.0196 (7)
O240.40903 (17)0.74202 (14)1.08563 (13)0.0184 (7)
O250.26972 (16)0.72235 (14)0.98033 (13)0.0177 (7)
O260.35396 (17)0.87774 (14)1.11026 (14)0.0227 (8)
O270.41392 (17)0.67065 (14)0.94731 (14)0.0207 (7)
O280.32754 (18)0.72261 (15)0.86067 (14)0.0236 (8)
O290.27113 (17)0.62362 (14)0.90882 (14)0.0219 (7)
O300.59322 (17)0.77987 (14)1.05866 (13)0.0236 (8)
H30D0.58900.82001.06520.035*
H30E0.64500.78291.04320.035*
O310.56463 (17)0.64057 (14)1.03348 (13)0.0192 (7)
O320.57613 (18)0.75200 (15)0.91246 (13)0.0241 (8)
C10.0716 (3)0.8717 (2)0.8623 (2)0.0314 (13)
H1A0.05710.89760.90120.047*
H1B0.04920.89270.82180.047*
H1C0.13480.86730.86020.047*
C20.0694 (3)0.7586 (2)0.7987 (2)0.0251 (12)
H2A0.05190.71350.79650.038*
H2B0.13290.76140.80210.038*
H2C0.04860.78080.75830.038*
C30.0044 (3)0.5797 (2)1.0758 (2)0.0274 (12)
H3A0.02410.56491.03430.041*
H3B0.03080.61341.09570.041*
H3C0.01040.54381.10690.041*
C40.1381 (3)0.6415 (2)1.1381 (2)0.0293 (12)
H4A0.19570.66141.13630.044*
H4B0.13970.60661.17080.044*
H4C0.09550.67361.15120.044*
C50.3181 (3)0.8401 (2)0.7684 (2)0.0350 (13)
H5A0.34390.87620.74470.052*
H5B0.26470.85440.78940.052*
H5C0.30440.80560.73680.052*
C60.4589 (3)0.6729 (3)0.7948 (3)0.0460 (16)
H6A0.45540.64190.75820.069*
H6B0.48180.65160.83510.069*
H6C0.49750.70810.78300.069*
C70.4341 (3)0.5422 (3)0.9258 (3)0.0436 (16)
H7A0.45040.49850.91370.065*
H7B0.48640.56650.93860.065*
H7C0.40490.56300.88760.065*
C80.3621 (3)0.5350 (2)1.1286 (2)0.0270 (12)
H8A0.32630.52361.16640.040*
H8B0.41460.55721.14490.040*
H8C0.37840.49611.10480.040*
C90.2606 (3)0.8136 (3)1.1706 (2)0.0341 (14)
H9A0.28900.83851.20630.051*
H9B0.30100.78111.15470.051*
H9C0.20880.79271.18750.051*
C100.2501 (3)0.9118 (2)0.9784 (3)0.0378 (14)
H10A0.23480.94860.95020.057*
H10B0.27370.87750.95090.057*
H10C0.29380.92481.01210.057*
C110.1945 (3)0.5139 (2)0.8839 (2)0.0304 (13)
H11A0.21570.51750.93030.046*
H11B0.22860.48160.86080.046*
H11C0.13320.50130.88300.046*
C120.1561 (3)0.5695 (3)0.7664 (2)0.0349 (14)
H12A0.15200.60800.73840.052*
H12B0.09770.55260.77350.052*
H12C0.19100.53700.74420.052*
C130.1323 (3)0.6408 (2)1.2302 (2)0.0297 (12)
H13A0.16640.60241.23990.044*
H13B0.11720.66301.27180.044*
H13C0.07910.62831.20790.044*
C140.0705 (3)0.8449 (2)1.2052 (2)0.0314 (13)
H14A0.05690.86561.24800.047*
H14B0.10810.87291.17800.047*
H14C0.01650.83661.18190.047*
C150.0584 (3)0.9632 (2)1.0727 (2)0.0392 (14)
H15A0.06670.97621.11900.059*
H15B0.03871.00011.04690.059*
H15C0.01460.92921.07140.059*
C160.1662 (3)0.9706 (2)0.8919 (2)0.0354 (13)
H16A0.13540.99010.85490.053*
H16B0.17891.00360.92500.053*
H16C0.22070.95160.87520.053*
C170.4212 (3)0.8652 (2)0.8607 (2)0.0310 (13)
H17A0.43590.82310.84200.046*
H17B0.35800.86920.86570.046*
H17C0.44350.89880.83070.046*
C180.4152 (3)0.9449 (2)0.9655 (2)0.0278 (12)
H18A0.43270.95601.01060.042*
H18B0.43110.97970.93490.042*
H18C0.35220.93830.96540.042*
C190.3599 (3)0.6259 (2)1.1163 (2)0.0349 (13)
H19A0.30170.62871.09780.052*
H19B0.40170.61291.08130.052*
H19C0.35950.59421.15230.052*
C200.4921 (3)0.6806 (3)1.1787 (2)0.0449 (16)
H20A0.52080.71901.19550.067*
H20B0.48440.64951.21480.067*
H20C0.52800.66181.14270.067*
C210.2448 (3)0.5787 (2)0.9594 (2)0.0260 (12)
H21A0.21310.54330.93920.039*
H21B0.29630.56190.98120.039*
H21C0.20700.60010.99250.039*
C220.2493 (3)0.7524 (2)0.8370 (2)0.0324 (13)
H22A0.26230.77440.79480.049*
H22B0.20510.71950.83010.049*
H22C0.22760.78340.87000.049*
C230.3109 (3)0.8879 (3)1.2371 (2)0.0401 (14)
H23A0.29520.84241.23930.060*
H23B0.37220.89301.24780.060*
H23C0.27470.91201.26920.060*
C240.3481 (3)0.9918 (2)1.1631 (3)0.0405 (14)
H24A0.35661.01061.11870.061*
H24B0.31291.02081.19110.061*
H24C0.40470.98521.18310.061*
O1W0.0314 (2)0.59619 (18)0.90674 (17)0.0506 (11)
H1W10.05640.58320.87100.076*
H1W20.01510.60260.88590.076*
O2W0.53607 (18)0.89745 (15)1.09908 (15)0.0319 (9)
H2W10.55370.90981.13670.048*
H2W20.48180.89041.10290.048*
N1S0.1124 (3)0.49790 (19)0.7715 (2)0.0253 (10)
O1S0.0332 (2)0.48893 (17)0.76667 (16)0.0401 (10)
O2S0.1402 (2)0.52865 (18)0.82033 (16)0.0409 (10)
O3S0.1652 (2)0.47610 (18)0.72974 (17)0.0443 (10)
N2S0.6144 (3)0.9981 (2)1.2337 (2)0.0314 (10)
O4S0.6720 (2)1.03085 (19)1.25965 (18)0.0502 (11)
O5S0.5371 (2)1.00865 (19)1.24619 (18)0.0486 (11)
O6S0.6370 (2)0.9562 (2)1.1935 (2)0.0572 (12)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Mn10.0114 (3)0.0158 (4)0.0203 (4)0.0006 (3)0.0013 (3)0.0005 (3)
Mn20.0111 (3)0.0166 (4)0.0226 (4)0.0000 (3)0.0018 (3)0.0009 (3)
Mn30.0110 (3)0.0153 (4)0.0202 (4)0.0002 (3)0.0002 (3)0.0002 (3)
Mn40.0112 (3)0.0171 (4)0.0212 (4)0.0008 (3)0.0004 (3)0.0012 (3)
S10.0176 (6)0.0228 (7)0.0227 (7)0.0031 (5)0.0009 (5)0.0049 (6)
S20.0171 (6)0.0167 (7)0.0264 (7)0.0018 (5)0.0026 (5)0.0032 (6)
S30.0156 (6)0.0198 (7)0.0273 (7)0.0012 (5)0.0029 (5)0.0041 (6)
S40.0185 (6)0.0225 (7)0.0283 (7)0.0000 (5)0.0034 (5)0.0059 (6)
S50.0216 (6)0.0282 (8)0.0196 (6)0.0060 (6)0.0022 (5)0.0041 (6)
S60.0168 (6)0.0242 (7)0.0244 (7)0.0011 (5)0.0006 (5)0.0045 (6)
P10.0136 (6)0.0275 (8)0.0202 (7)0.0019 (5)0.0006 (5)0.0031 (6)
P20.0126 (6)0.0167 (7)0.0244 (7)0.0009 (5)0.0019 (5)0.0014 (6)
P30.0133 (6)0.0175 (7)0.0271 (7)0.0006 (5)0.0002 (5)0.0041 (6)
P40.0124 (6)0.0208 (7)0.0183 (6)0.0005 (5)0.0000 (5)0.0015 (6)
P50.0143 (6)0.0158 (7)0.0260 (7)0.0006 (5)0.0016 (5)0.0019 (6)
P60.0127 (6)0.0192 (7)0.0222 (7)0.0007 (5)0.0010 (5)0.0021 (6)
O10.0135 (15)0.0224 (19)0.0209 (17)0.0053 (13)0.0010 (13)0.0032 (15)
O20.0175 (16)0.0154 (18)0.0256 (18)0.0001 (13)0.0026 (13)0.0045 (15)
O30.0155 (16)0.036 (2)0.0250 (18)0.0032 (15)0.0005 (14)0.0081 (16)
O40.0165 (16)0.023 (2)0.0328 (19)0.0045 (14)0.0031 (14)0.0045 (16)
O50.0102 (15)0.0163 (18)0.0266 (17)0.0003 (13)0.0026 (13)0.0038 (14)
O60.0157 (16)0.0213 (19)0.0256 (18)0.0038 (14)0.0026 (13)0.0053 (15)
O70.0225 (18)0.045 (2)0.034 (2)0.0048 (17)0.0024 (15)0.0177 (18)
O80.0191 (18)0.054 (3)0.031 (2)0.0036 (17)0.0056 (15)0.0146 (19)
O90.0195 (17)0.024 (2)0.0318 (19)0.0023 (14)0.0036 (14)0.0074 (16)
O100.0209 (17)0.0166 (19)0.037 (2)0.0011 (14)0.0055 (15)0.0046 (16)
O110.0128 (16)0.024 (2)0.0269 (18)0.0040 (14)0.0013 (13)0.0053 (15)
O120.0213 (17)0.0168 (19)0.035 (2)0.0013 (14)0.0011 (14)0.0015 (16)
O130.0183 (17)0.028 (2)0.0274 (19)0.0014 (15)0.0048 (14)0.0040 (16)
O140.0075 (16)0.039 (2)0.057 (2)0.0019 (15)0.0010 (15)0.0242 (19)
O150.0186 (17)0.026 (2)0.0280 (18)0.0097 (14)0.0069 (14)0.0052 (16)
O160.0216 (17)0.0184 (19)0.039 (2)0.0020 (14)0.0008 (15)0.0016 (16)
O170.0171 (16)0.027 (2)0.0237 (18)0.0045 (14)0.0007 (13)0.0012 (15)
O180.0227 (17)0.024 (2)0.0217 (18)0.0018 (15)0.0013 (14)0.0010 (15)
O190.0168 (16)0.021 (2)0.0270 (18)0.0028 (14)0.0001 (14)0.0056 (15)
O200.0142 (16)0.023 (2)0.036 (2)0.0009 (14)0.0019 (14)0.0123 (16)
O210.0222 (17)0.028 (2)0.0260 (19)0.0028 (15)0.0033 (14)0.0063 (16)
O220.0261 (19)0.027 (2)0.029 (2)0.0002 (15)0.0038 (15)0.0019 (16)
O230.0170 (16)0.0182 (19)0.0234 (18)0.0003 (13)0.0032 (13)0.0051 (15)
O240.0177 (16)0.0191 (19)0.0184 (16)0.0004 (13)0.0012 (13)0.0014 (14)
O250.0117 (15)0.0193 (18)0.0222 (17)0.0008 (13)0.0002 (13)0.0059 (14)
O260.0160 (16)0.026 (2)0.0260 (18)0.0046 (14)0.0038 (14)0.0096 (15)
O270.0146 (16)0.0211 (19)0.0263 (18)0.0050 (14)0.0016 (13)0.0062 (15)
O280.0195 (17)0.033 (2)0.0189 (17)0.0061 (15)0.0041 (13)0.0005 (15)
O290.0188 (16)0.0200 (19)0.0271 (19)0.0027 (14)0.0017 (14)0.0029 (15)
O300.0144 (16)0.025 (2)0.0312 (19)0.0008 (14)0.0001 (14)0.0070 (16)
O310.0135 (16)0.0198 (19)0.0242 (18)0.0025 (13)0.0016 (13)0.0009 (15)
O320.0208 (17)0.030 (2)0.0213 (17)0.0033 (15)0.0062 (14)0.0003 (16)
C10.031 (3)0.027 (3)0.036 (3)0.000 (2)0.004 (2)0.006 (3)
C20.019 (2)0.029 (3)0.027 (3)0.004 (2)0.002 (2)0.000 (2)
C30.029 (3)0.018 (3)0.035 (3)0.004 (2)0.002 (2)0.012 (2)
C40.030 (3)0.032 (3)0.025 (3)0.001 (2)0.003 (2)0.001 (2)
C50.041 (3)0.031 (3)0.033 (3)0.006 (3)0.006 (3)0.011 (3)
C60.040 (3)0.053 (4)0.045 (4)0.022 (3)0.009 (3)0.002 (3)
C70.034 (3)0.040 (4)0.058 (4)0.014 (3)0.027 (3)0.023 (3)
C80.033 (3)0.018 (3)0.030 (3)0.000 (2)0.000 (2)0.006 (2)
C90.031 (3)0.049 (4)0.022 (3)0.003 (3)0.002 (2)0.002 (3)
C100.035 (3)0.026 (3)0.053 (4)0.006 (3)0.013 (3)0.008 (3)
C110.031 (3)0.020 (3)0.041 (3)0.001 (2)0.003 (2)0.000 (2)
C120.036 (3)0.045 (4)0.024 (3)0.000 (3)0.005 (2)0.009 (3)
C130.029 (3)0.027 (3)0.032 (3)0.000 (2)0.001 (2)0.006 (3)
C140.035 (3)0.019 (3)0.039 (3)0.002 (2)0.007 (2)0.002 (3)
C150.049 (4)0.030 (3)0.039 (3)0.025 (3)0.001 (3)0.006 (3)
C160.046 (3)0.025 (3)0.035 (3)0.003 (3)0.003 (3)0.009 (3)
C170.039 (3)0.030 (3)0.024 (3)0.001 (3)0.000 (2)0.007 (2)
C180.028 (3)0.015 (3)0.040 (3)0.001 (2)0.007 (2)0.004 (2)
C190.039 (3)0.021 (3)0.044 (3)0.001 (2)0.010 (3)0.007 (3)
C200.034 (3)0.078 (5)0.023 (3)0.025 (3)0.005 (2)0.000 (3)
C210.027 (3)0.018 (3)0.034 (3)0.002 (2)0.005 (2)0.000 (2)
C220.031 (3)0.045 (4)0.022 (3)0.007 (3)0.010 (2)0.006 (3)
C230.052 (4)0.044 (4)0.024 (3)0.010 (3)0.003 (3)0.001 (3)
C240.038 (3)0.025 (3)0.059 (4)0.004 (3)0.000 (3)0.011 (3)
O1W0.0210 (19)0.070 (3)0.061 (3)0.0109 (19)0.0086 (18)0.040 (2)
O2W0.0194 (17)0.038 (2)0.039 (2)0.0009 (16)0.0008 (15)0.0121 (18)
N1S0.029 (2)0.018 (2)0.028 (3)0.005 (2)0.003 (2)0.002 (2)
O1S0.0182 (19)0.051 (3)0.052 (2)0.0029 (17)0.0071 (17)0.002 (2)
O2S0.033 (2)0.057 (3)0.033 (2)0.0044 (19)0.0032 (17)0.018 (2)
O3S0.039 (2)0.049 (3)0.044 (2)0.0075 (19)0.0139 (19)0.019 (2)
N2S0.033 (3)0.034 (3)0.027 (3)0.002 (2)0.007 (2)0.000 (2)
O4S0.042 (2)0.054 (3)0.056 (3)0.005 (2)0.017 (2)0.031 (2)
O5S0.025 (2)0.059 (3)0.061 (3)0.0080 (19)0.0074 (19)0.003 (2)
O6S0.042 (2)0.065 (3)0.065 (3)0.000 (2)0.011 (2)0.037 (3)
Geometric parameters (Å, º) top
Mn1—O42.100 (3)O32—P1ii1.474 (3)
Mn1—O32.118 (3)C1—H1A0.9800
Mn1—O52.152 (3)C1—H1B0.9800
Mn1—O12.237 (3)C1—H1C0.9800
Mn1—O62.241 (3)C2—H2A0.9800
Mn1—O22.254 (3)C2—H2B0.9800
Mn2—O162.083 (3)C2—H2C0.9800
Mn2—O112.098 (3)C3—H3A0.9800
Mn2—O142.128 (3)C3—H3B0.9800
Mn2—O152.126 (3)C3—H3C0.9800
Mn2—O22.309 (3)C4—H4A0.9800
Mn2—O12.319 (3)C4—H4B0.9800
Mn3—O172.098 (3)C4—H4C0.9800
Mn3—O202.112 (3)C5—H5A0.9800
Mn3—O252.163 (3)C5—H5B0.9800
Mn3—O262.229 (3)C5—H5C0.9800
Mn3—O232.241 (3)C6—H6A0.9800
Mn3—O242.252 (3)C6—H6B0.9800
Mn4—O322.094 (3)C6—H6C0.9800
Mn4—O272.122 (3)C7—H7A0.9800
Mn4—O312.132 (3)C7—H7B0.9800
Mn4—O302.143 (3)C7—H7C0.9800
Mn4—O242.282 (3)C8—H8A0.9800
Mn4—O232.320 (3)C8—H8B0.9800
S1—O11.529 (3)C8—H8C0.9800
S1—C21.768 (4)C9—H9A0.9800
S1—C11.769 (5)C9—H9B0.9800
S2—O21.530 (3)C9—H9C0.9800
S2—C31.766 (4)C10—H10A0.9800
S2—C41.777 (4)C10—H10B0.9800
S3—O61.522 (3)C10—H10C0.9800
S3—C121.757 (5)C11—H11A0.9800
S3—C111.780 (5)C11—H11B0.9800
S4—O231.531 (3)C11—H11C0.9800
S4—C171.772 (4)C12—H12A0.9800
S4—C181.777 (5)C12—H12B0.9800
S5—O241.532 (3)C12—H12C0.9800
S5—C201.762 (4)C13—H13A0.9800
S5—C191.771 (5)C13—H13B0.9800
S6—O261.528 (3)C13—H13C0.9800
S6—C231.763 (5)C14—H14A0.9800
S6—C241.776 (5)C14—H14B0.9800
P1—O32i1.474 (3)C14—H14C0.9800
P1—O31.483 (3)C15—H15A0.9800
P1—O81.571 (3)C15—H15B0.9800
P1—O71.593 (3)C15—H15C0.9800
P2—O41.485 (3)C16—H16A0.9800
P2—O31i1.488 (3)C16—H16B0.9800
P2—O91.581 (3)C16—H16C0.9800
P2—O101.581 (3)C17—H17A0.9800
P3—O111.495 (3)C17—H17B0.9800
P3—O51.500 (3)C17—H17C0.9800
P3—O131.570 (3)C18—H18A0.9800
P3—O121.577 (3)C18—H18B0.9800
P4—O171.483 (3)C18—H18C0.9800
P4—O151.494 (3)C19—H19A0.9800
P4—O181.581 (3)C19—H19B0.9800
P4—O191.592 (3)C19—H19C0.9800
P5—O161.477 (3)C20—H20A0.9800
P5—O201.489 (3)C20—H20B0.9800
P5—O221.581 (3)C20—H20C0.9800
P5—O211.582 (3)C21—H21A0.9800
P6—O271.489 (3)C21—H21B0.9800
P6—O251.503 (3)C21—H21C0.9800
P6—O281.576 (3)C22—H22A0.9800
P6—O291.589 (3)C22—H22B0.9800
O7—C51.412 (5)C22—H22C0.9800
O8—C61.433 (5)C23—H23A0.9800
O9—C81.443 (5)C23—H23B0.9800
O10—C71.430 (5)C23—H23C0.9800
O12—C101.445 (5)C24—H24A0.9800
O13—C91.433 (5)C24—H24B0.9800
O14—H14D0.8501C24—H24C0.9800
O14—H14E0.8500O1W—H1W10.8501
O18—C141.446 (5)O1W—H1W20.8500
O19—C131.443 (5)O2W—H2W10.8500
O21—C161.433 (5)O2W—H2W20.8500
O22—C151.438 (5)N1S—O3S1.239 (4)
O28—C221.447 (5)N1S—O1S1.240 (4)
O29—C211.434 (5)N1S—O2S1.257 (5)
O30—H30D0.8500N2S—O5S1.230 (5)
O30—H30E0.8500N2S—O6S1.235 (5)
O31—P2ii1.488 (3)N2S—O4S1.245 (5)
O4—Mn1—O3100.19 (11)H30D—O30—H30E92.9
O4—Mn1—O593.25 (11)P2ii—O31—Mn4136.60 (17)
O3—Mn1—O594.22 (11)P1ii—O32—Mn4162.7 (2)
O4—Mn1—O1163.51 (11)S1—C1—H1A109.5
O3—Mn1—O195.81 (11)S1—C1—H1B109.5
O5—Mn1—O189.51 (11)H1A—C1—H1B109.5
O4—Mn1—O687.23 (11)S1—C1—H1C109.5
O3—Mn1—O690.84 (11)H1A—C1—H1C109.5
O5—Mn1—O6174.74 (10)H1B—C1—H1C109.5
O1—Mn1—O688.57 (10)S1—C2—H2A109.5
O4—Mn1—O291.73 (11)S1—C2—H2B109.5
O3—Mn1—O2167.16 (11)H2A—C2—H2B109.5
O5—Mn1—O289.81 (10)S1—C2—H2C109.5
O1—Mn1—O272.00 (10)H2A—C2—H2C109.5
O6—Mn1—O284.94 (10)H2B—C2—H2C109.5
O16—Mn2—O1191.59 (12)S2—C3—H3A109.5
O16—Mn2—O1490.11 (12)S2—C3—H3B109.5
O11—Mn2—O14175.31 (11)H3A—C3—H3B109.5
O16—Mn2—O15104.10 (11)S2—C3—H3C109.5
O11—Mn2—O1592.74 (11)H3A—C3—H3C109.5
O14—Mn2—O1591.08 (12)H3B—C3—H3C109.5
O16—Mn2—O2158.49 (11)S2—C4—H4A109.5
O11—Mn2—O290.71 (11)S2—C4—H4B109.5
O14—Mn2—O286.11 (11)H4A—C4—H4B109.5
O15—Mn2—O297.15 (11)S2—C4—H4C109.5
O16—Mn2—O189.03 (11)H4A—C4—H4C109.5
O11—Mn2—O190.30 (10)H4B—C4—H4C109.5
O14—Mn2—O185.36 (11)O7—C5—H5A109.5
O15—Mn2—O1166.43 (11)O7—C5—H5B109.5
O2—Mn2—O169.57 (10)H5A—C5—H5B109.5
O17—Mn3—O20102.29 (11)O7—C5—H5C109.5
O17—Mn3—O2590.75 (11)H5A—C5—H5C109.5
O20—Mn3—O2591.69 (11)H5B—C5—H5C109.5
O17—Mn3—O2689.40 (11)O8—C6—H6A109.5
O20—Mn3—O2695.76 (12)O8—C6—H6B109.5
O25—Mn3—O26172.35 (11)H6A—C6—H6B109.5
O17—Mn3—O23164.57 (11)O8—C6—H6C109.5
O20—Mn3—O2392.73 (11)H6A—C6—H6C109.5
O25—Mn3—O2392.35 (11)H6B—C6—H6C109.5
O26—Mn3—O2385.54 (10)O10—C7—H7A109.5
O17—Mn3—O2492.76 (11)O10—C7—H7B109.5
O20—Mn3—O24164.95 (11)H7A—C7—H7B109.5
O25—Mn3—O2488.49 (10)O10—C7—H7C109.5
O26—Mn3—O2483.87 (11)H7A—C7—H7C109.5
O23—Mn3—O2472.24 (10)H7B—C7—H7C109.5
O32—Mn4—O2794.04 (11)O9—C8—H8A109.5
O32—Mn4—O31105.60 (11)O9—C8—H8B109.5
O27—Mn4—O3189.66 (11)H8A—C8—H8B109.5
O32—Mn4—O3090.63 (11)O9—C8—H8C109.5
O27—Mn4—O30175.30 (11)H8A—C8—H8C109.5
O31—Mn4—O3088.64 (11)H8B—C8—H8C109.5
O32—Mn4—O24155.33 (11)O13—C9—H9A109.5
O27—Mn4—O2491.33 (10)O13—C9—H9B109.5
O31—Mn4—O2498.49 (10)H9A—C9—H9B109.5
O30—Mn4—O2484.59 (10)O13—C9—H9C109.5
O32—Mn4—O2385.46 (11)H9A—C9—H9C109.5
O27—Mn4—O2392.17 (11)H9B—C9—H9C109.5
O31—Mn4—O23168.64 (11)O12—C10—H10A109.5
O30—Mn4—O2388.65 (11)O12—C10—H10B109.5
O24—Mn4—O2370.27 (10)H10A—C10—H10B109.5
O1—S1—C2105.01 (19)O12—C10—H10C109.5
O1—S1—C1104.9 (2)H10A—C10—H10C109.5
C2—S1—C198.7 (2)H10B—C10—H10C109.5
O2—S2—C3104.70 (19)S3—C11—H11A109.5
O2—S2—C4103.3 (2)S3—C11—H11B109.5
C3—S2—C499.7 (2)H11A—C11—H11B109.5
O6—S3—C12105.2 (2)S3—C11—H11C109.5
O6—S3—C11104.8 (2)H11A—C11—H11C109.5
C12—S3—C1198.7 (2)H11B—C11—H11C109.5
O23—S4—C17104.9 (2)S3—C12—H12A109.5
O23—S4—C18105.54 (19)S3—C12—H12B109.5
C17—S4—C1898.2 (2)H12A—C12—H12B109.5
O24—S5—C20105.5 (2)S3—C12—H12C109.5
O24—S5—C19104.1 (2)H12A—C12—H12C109.5
C20—S5—C1998.5 (3)H12B—C12—H12C109.5
O26—S6—C23105.6 (2)O19—C13—H13A109.5
O26—S6—C24103.9 (2)O19—C13—H13B109.5
C23—S6—C2498.6 (3)H13A—C13—H13B109.5
O32i—P1—O3120.25 (17)O19—C13—H13C109.5
O32i—P1—O8110.90 (18)H13A—C13—H13C109.5
O3—P1—O8105.39 (18)H13B—C13—H13C109.5
O32i—P1—O7105.08 (18)O18—C14—H14A109.5
O3—P1—O7109.08 (18)O18—C14—H14B109.5
O8—P1—O7105.26 (18)H14A—C14—H14B109.5
O4—P2—O31i117.55 (18)O18—C14—H14C109.5
O4—P2—O9105.81 (17)H14A—C14—H14C109.5
O31i—P2—O9111.63 (17)H14B—C14—H14C109.5
O4—P2—O10110.04 (17)O22—C15—H15A109.5
O31i—P2—O10109.37 (16)O22—C15—H15B109.5
O9—P2—O10101.17 (17)H15A—C15—H15B109.5
O11—P3—O5116.19 (17)O22—C15—H15C109.5
O11—P3—O13110.87 (16)H15A—C15—H15C109.5
O5—P3—O13109.47 (16)H15B—C15—H15C109.5
O11—P3—O12108.41 (17)O21—C16—H16A109.5
O5—P3—O12110.52 (17)O21—C16—H16B109.5
O13—P3—O12100.19 (18)H16A—C16—H16B109.5
O17—P4—O15118.07 (17)O21—C16—H16C109.5
O17—P4—O18110.26 (17)H16A—C16—H16C109.5
O15—P4—O18109.25 (17)H16B—C16—H16C109.5
O17—P4—O19106.52 (17)S4—C17—H17A109.5
O15—P4—O19110.73 (17)S4—C17—H17B109.5
O18—P4—O19100.58 (16)H17A—C17—H17B109.5
O16—P5—O20119.50 (18)S4—C17—H17C109.5
O16—P5—O22111.25 (18)H17A—C17—H17C109.5
O20—P5—O22104.65 (17)H17B—C17—H17C109.5
O16—P5—O21104.51 (17)S4—C18—H18A109.5
O20—P5—O21110.20 (17)S4—C18—H18B109.5
O22—P5—O21106.11 (17)H18A—C18—H18B109.5
O27—P6—O25116.26 (16)S4—C18—H18C109.5
O27—P6—O28107.41 (16)H18A—C18—H18C109.5
O25—P6—O28111.22 (17)H18B—C18—H18C109.5
O27—P6—O29111.69 (17)S5—C19—H19A109.5
O25—P6—O29108.67 (16)S5—C19—H19B109.5
O28—P6—O29100.46 (16)H19A—C19—H19B109.5
S1—O1—Mn1137.38 (16)S5—C19—H19C109.5
S1—O1—Mn2117.51 (14)H19A—C19—H19C109.5
Mn1—O1—Mn2104.35 (11)H19B—C19—H19C109.5
S2—O2—Mn1119.59 (15)S5—C20—H20A109.5
S2—O2—Mn2133.54 (16)S5—C20—H20B109.5
Mn1—O2—Mn2104.12 (12)H20A—C20—H20B109.5
P1—O3—Mn1133.65 (18)S5—C20—H20C109.5
P2—O4—Mn1164.6 (2)H20A—C20—H20C109.5
P3—O5—Mn1130.14 (16)H20B—C20—H20C109.5
S3—O6—Mn1118.65 (15)O29—C21—H21A109.5
C5—O7—P1120.5 (3)O29—C21—H21B109.5
C6—O8—P1122.2 (3)H21A—C21—H21B109.5
C8—O9—P2121.6 (3)O29—C21—H21C109.5
C7—O10—P2119.9 (3)H21A—C21—H21C109.5
P3—O11—Mn2130.16 (17)H21B—C21—H21C109.5
C10—O12—P3118.7 (3)O28—C22—H22A109.5
C9—O13—P3118.8 (3)O28—C22—H22B109.5
Mn2—O14—H14D121.1H22A—C22—H22B109.5
Mn2—O14—H14E126.2O28—C22—H22C109.5
H14D—O14—H14E112.5H22A—C22—H22C109.5
P4—O15—Mn2134.50 (18)H22B—C22—H22C109.5
P5—O16—Mn2164.8 (2)S6—C23—H23A109.5
P4—O17—Mn3164.80 (19)S6—C23—H23B109.5
C14—O18—P4116.8 (3)H23A—C23—H23B109.5
C13—O19—P4121.8 (3)S6—C23—H23C109.5
P5—O20—Mn3130.10 (18)H23A—C23—H23C109.5
C16—O21—P5121.1 (3)H23B—C23—H23C109.5
C15—O22—P5121.1 (3)S6—C24—H24A109.5
S4—O23—Mn3137.74 (17)S6—C24—H24B109.5
S4—O23—Mn4119.35 (15)H24A—C24—H24B109.5
Mn3—O23—Mn4102.88 (11)S6—C24—H24C109.5
S5—O24—Mn3120.64 (15)H24A—C24—H24C109.5
S5—O24—Mn4130.70 (17)H24B—C24—H24C109.5
Mn3—O24—Mn4103.77 (11)H1W1—O1W—H1W290.1
P6—O25—Mn3129.87 (16)H2W1—O2W—H2W2107.9
S6—O26—Mn3122.64 (15)O3S—N1S—O1S121.3 (4)
P6—O27—Mn4130.02 (18)O3S—N1S—O2S119.0 (4)
C22—O28—P6118.6 (3)O1S—N1S—O2S119.7 (4)
C21—O29—P6119.2 (3)O5S—N2S—O6S120.9 (4)
Mn4—O30—H30D123.6O5S—N2S—O4S120.9 (5)
Mn4—O30—H30E115.6O6S—N2S—O4S118.2 (4)
C2—S1—O1—Mn117.4 (3)O15—Mn2—O16—P539.7 (8)
C1—S1—O1—Mn186.1 (3)O2—Mn2—O16—P5131.1 (7)
C2—S1—O1—Mn2150.7 (2)O1—Mn2—O16—P5136.8 (8)
C1—S1—O1—Mn2105.8 (2)O15—P4—O17—Mn342.0 (8)
O4—Mn1—O1—S1135.1 (4)O18—P4—O17—Mn3168.5 (7)
O3—Mn1—O1—S130.9 (3)O19—P4—O17—Mn383.2 (7)
O5—Mn1—O1—S1125.1 (3)O20—Mn3—O17—P486.5 (8)
O6—Mn1—O1—S159.8 (3)O25—Mn3—O17—P45.4 (7)
O2—Mn1—O1—S1145.0 (3)O26—Mn3—O17—P4177.7 (7)
O4—Mn1—O1—Mn234.1 (4)O23—Mn3—O17—P4107.0 (7)
O3—Mn1—O1—Mn2159.97 (12)O24—Mn3—O17—P493.9 (7)
O5—Mn1—O1—Mn265.77 (12)O17—P4—O18—C1470.0 (3)
O6—Mn1—O1—Mn2109.33 (12)O15—P4—O18—C1461.3 (3)
O2—Mn1—O1—Mn224.19 (11)O19—P4—O18—C14177.8 (3)
O16—Mn2—O1—S129.98 (19)O17—P4—O19—C13178.6 (3)
O11—Mn2—O1—S1121.57 (19)O15—P4—O19—C1351.9 (4)
O14—Mn2—O1—S160.21 (19)O18—P4—O19—C1363.6 (3)
O15—Mn2—O1—S1135.4 (4)O16—P5—O20—Mn345.2 (3)
O2—Mn2—O1—S1147.8 (2)O22—P5—O20—Mn380.1 (3)
O16—Mn2—O1—Mn1158.28 (13)O21—P5—O20—Mn3166.2 (2)
O11—Mn2—O1—Mn166.69 (13)O17—Mn3—O20—P51.5 (3)
O14—Mn2—O1—Mn1111.52 (13)O25—Mn3—O20—P589.6 (2)
O15—Mn2—O1—Mn136.3 (5)O26—Mn3—O20—P592.2 (2)
O2—Mn2—O1—Mn123.95 (11)O23—Mn3—O20—P5178.0 (2)
C3—S2—O2—Mn1156.4 (2)O24—Mn3—O20—P5180.0 (3)
C4—S2—O2—Mn199.7 (2)O16—P5—O21—C16176.6 (3)
C3—S2—O2—Mn245.7 (3)O20—P5—O21—C1647.0 (4)
C4—S2—O2—Mn258.3 (3)O22—P5—O21—C1665.7 (4)
O4—Mn1—O2—S25.18 (19)O16—P5—O22—C1538.7 (4)
O3—Mn1—O2—S2153.1 (5)O20—P5—O22—C15169.0 (3)
O5—Mn1—O2—S298.42 (19)O21—P5—O22—C1574.4 (4)
O1—Mn1—O2—S2172.0 (2)C17—S4—O23—Mn381.6 (3)
O6—Mn1—O2—S281.89 (19)C18—S4—O23—Mn321.6 (3)
O4—Mn1—O2—Mn2158.52 (12)C17—S4—O23—Mn4100.3 (2)
O3—Mn1—O2—Mn243.2 (6)C18—S4—O23—Mn4156.57 (19)
O5—Mn1—O2—Mn265.28 (12)O17—Mn3—O23—S4139.7 (4)
O1—Mn1—O2—Mn224.27 (10)O20—Mn3—O23—S427.1 (3)
O6—Mn1—O2—Mn2114.41 (12)O25—Mn3—O23—S4118.9 (3)
O16—Mn2—O2—S2169.8 (2)O26—Mn3—O23—S468.5 (3)
O11—Mn2—O2—S294.0 (2)O24—Mn3—O23—S4153.5 (3)
O14—Mn2—O2—S289.4 (2)O17—Mn3—O23—Mn438.7 (5)
O15—Mn2—O2—S21.2 (2)O20—Mn3—O23—Mn4154.55 (12)
O1—Mn2—O2—S2175.9 (3)O25—Mn3—O23—Mn462.75 (12)
O16—Mn2—O2—Mn129.8 (4)O26—Mn3—O23—Mn4109.88 (12)
O11—Mn2—O2—Mn166.32 (12)O24—Mn3—O23—Mn424.90 (10)
O14—Mn2—O2—Mn1110.23 (13)O32—Mn4—O23—S421.61 (18)
O15—Mn2—O2—Mn1159.17 (12)O27—Mn4—O23—S4115.50 (18)
O1—Mn2—O2—Mn123.73 (10)O31—Mn4—O23—S4145.4 (5)
O32i—P1—O3—Mn130.8 (4)O30—Mn4—O23—S469.13 (18)
O8—P1—O3—Mn195.3 (3)O24—Mn4—O23—S4153.9 (2)
O7—P1—O3—Mn1152.1 (2)O32—Mn4—O23—Mn3159.66 (12)
O4—Mn1—O3—P120.4 (3)O27—Mn4—O23—Mn365.77 (12)
O5—Mn1—O3—P173.7 (3)O31—Mn4—O23—Mn333.4 (6)
O1—Mn1—O3—P1163.6 (3)O30—Mn4—O23—Mn3109.60 (12)
O6—Mn1—O3—P1107.7 (3)O24—Mn4—O23—Mn324.86 (10)
O2—Mn1—O3—P1178.3 (4)C20—S5—O24—Mn3163.8 (2)
O31i—P2—O4—Mn138.0 (8)C19—S5—O24—Mn393.1 (2)
O9—P2—O4—Mn187.4 (7)C20—S5—O24—Mn445.2 (3)
O10—P2—O4—Mn1164.1 (7)C19—S5—O24—Mn457.9 (3)
O3—Mn1—O4—P287.5 (7)O17—Mn3—O24—S50.42 (19)
O5—Mn1—O4—P27.4 (7)O20—Mn3—O24—S5178.9 (4)
O1—Mn1—O4—P2106.7 (8)O25—Mn3—O24—S590.25 (19)
O6—Mn1—O4—P2177.9 (7)O26—Mn3—O24—S589.53 (19)
O2—Mn1—O4—P297.3 (7)O23—Mn3—O24—S5176.8 (2)
O11—P3—O5—Mn142.2 (3)O17—Mn3—O24—Mn4158.18 (12)
O13—P3—O5—Mn1168.7 (2)O20—Mn3—O24—Mn423.4 (5)
O12—P3—O5—Mn181.9 (2)O25—Mn3—O24—Mn467.51 (12)
O4—Mn1—O5—P3149.0 (2)O26—Mn3—O24—Mn4112.71 (12)
O3—Mn1—O5—P3110.6 (2)O23—Mn3—O24—Mn425.45 (11)
O1—Mn1—O5—P314.8 (2)O32—Mn4—O24—S5169.8 (2)
O2—Mn1—O5—P357.2 (2)O27—Mn4—O24—S587.6 (2)
C12—S3—O6—Mn1150.4 (2)O31—Mn4—O24—S52.3 (2)
C11—S3—O6—Mn1106.0 (2)O30—Mn4—O24—S590.1 (2)
O4—Mn1—O6—S339.80 (19)O23—Mn4—O24—S5179.4 (2)
O3—Mn1—O6—S360.35 (19)O32—Mn4—O24—Mn335.7 (3)
O1—Mn1—O6—S3156.15 (18)O27—Mn4—O24—Mn367.00 (12)
O2—Mn1—O6—S3131.79 (19)O31—Mn4—O24—Mn3156.86 (11)
O32i—P1—O7—C5169.2 (3)O30—Mn4—O24—Mn3115.33 (12)
O3—P1—O7—C539.0 (4)O23—Mn4—O24—Mn324.83 (10)
O8—P1—O7—C573.6 (4)O27—P6—O25—Mn342.9 (3)
O32i—P1—O8—C630.5 (4)O28—P6—O25—Mn380.4 (2)
O3—P1—O8—C6162.1 (4)O29—P6—O25—Mn3169.89 (19)
O7—P1—O8—C682.6 (4)O17—Mn3—O25—P6152.8 (2)
O4—P2—O9—C8174.1 (3)O20—Mn3—O25—P6104.9 (2)
O31i—P2—O9—C856.9 (4)O23—Mn3—O25—P612.1 (2)
O10—P2—O9—C859.3 (3)O24—Mn3—O25—P660.1 (2)
O4—P2—O10—C783.8 (4)C23—S6—O26—Mn3107.7 (2)
O31i—P2—O10—C746.7 (4)C24—S6—O26—Mn3149.0 (2)
O9—P2—O10—C7164.6 (3)O17—Mn3—O26—S638.3 (2)
O5—P3—O11—Mn242.4 (3)O20—Mn3—O26—S664.0 (2)
O13—P3—O11—Mn2168.2 (2)O23—Mn3—O26—S6156.3 (2)
O12—P3—O11—Mn282.8 (3)O24—Mn3—O26—S6131.1 (2)
O16—Mn2—O11—P3102.0 (2)O25—P6—O27—Mn438.7 (3)
O15—Mn2—O11—P3153.8 (2)O28—P6—O27—Mn486.6 (2)
O2—Mn2—O11—P356.6 (2)O29—P6—O27—Mn4164.17 (19)
O1—Mn2—O11—P313.0 (2)O32—Mn4—O27—P6102.6 (2)
O11—P3—O12—C10173.2 (3)O31—Mn4—O27—P6151.8 (2)
O5—P3—O12—C1044.8 (4)O24—Mn4—O27—P653.4 (2)
O13—P3—O12—C1070.6 (3)O23—Mn4—O27—P617.0 (2)
O11—P3—O13—C967.4 (3)O27—P6—O28—C22170.0 (3)
O5—P3—O13—C962.1 (3)O25—P6—O28—C2241.7 (4)
O12—P3—O13—C9178.3 (3)O29—P6—O28—C2273.2 (3)
O17—P4—O15—Mn220.1 (3)O27—P6—O29—C2172.4 (3)
O18—P4—O15—Mn2106.9 (3)O25—P6—O29—C2157.1 (3)
O19—P4—O15—Mn2143.2 (2)O28—P6—O29—C21173.9 (3)
O16—Mn2—O15—P412.5 (3)O32—Mn4—O31—P2ii12.3 (3)
O11—Mn2—O15—P4104.8 (3)O27—Mn4—O31—P2ii106.5 (3)
O14—Mn2—O15—P477.9 (3)O30—Mn4—O31—P2ii77.9 (3)
O2—Mn2—O15—P4164.1 (3)O24—Mn4—O31—P2ii162.3 (2)
O1—Mn2—O15—P4152.5 (4)O23—Mn4—O31—P2ii154.2 (4)
O20—P5—O16—Mn220.6 (9)O27—Mn4—O32—P1ii95.6 (7)
O22—P5—O16—Mn2101.5 (8)O31—Mn4—O32—P1ii4.8 (7)
O21—P5—O16—Mn2144.4 (7)O30—Mn4—O32—P1ii84.0 (7)
O11—Mn2—O16—P5132.9 (8)O24—Mn4—O32—P1ii162.3 (5)
O14—Mn2—O16—P551.4 (8)O23—Mn4—O32—P1ii172.6 (7)
Symmetry codes: (i) x+1, y, z; (ii) x1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O14—H14D···O250.851.902.752 (4)178
O14—H14E···O1W0.851.902.698 (5)156
O30—H30D···O2W0.851.932.724 (4)156
O30—H30E···O5ii0.851.922.761 (4)168
O1W—H1W1···O2S0.851.982.766 (5)153
O1W—H1W2···O60.852.062.845 (4)154
O2W—H2W1···O6S0.851.992.770 (5)152
O2W—H2W2···O260.851.992.837 (4)177
Symmetry code: (ii) x1, y, z.
 

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