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In the title compound, Na[Cr(C4H5NO4)2]·1.5H2O, the CrIII-centered complex anion displays an octahedral coordination geometry formed by two facial imino­di­acetate dianions, with two N atoms in a cis configuration. The Na+ ion is surrounded by one water and five carboxyl O atoms, with Na—O distances of 2.3221 (15)-2.5531 (18) Å. There is an extensive hydrogen-bonding network in the crystal structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803016246/ob6279sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803016246/ob6279Isup2.hkl
Contains datablock I

CCDC reference: 221657

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.029
  • wR factor = 0.075
  • Data-to-parameter ratio = 15.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: PROCESS-AUTO (Rigaku Corporation, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC and Rigaku, 2002); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

(I) top
Crystal data top
Na[Cr(C4H5NO4)2]·1.5H2OF(000) = 1488
Mr = 364.20Dx = 1.807 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 10968 reflections
a = 15.5805 (15) Åθ = 2.8–54.0°
b = 16.8464 (16) ŵ = 0.94 mm1
c = 10.2030 (12) ÅT = 295 K
β = 90.742 (2)°Plate, purple
V = 2677.8 (5) Å30.38 × 0.33 × 0.11 mm
Z = 8
Data collection top
Rigaku R-AXIS RAPID
diffractometer
6141 independent reflections
Radiation source: fine-focus sealed tube4824 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.017
Detector resolution: 10.00 pixels mm-1θmax = 27.5°, θmin = 1.3°
ω scansh = 2020
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 2121
Tmin = 0.702, Tmax = 0.900l = 1313
11982 measured reflections
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) = 0.075H-atom parameters constrained
S = 0.98 w = 1/[σ2(Fo2) + (0.0467P)2]
where P = (Fo2 + 2Fc2)/3
6141 reflections(Δ/σ)max = 0.001
388 parametersΔρmax = 0.27 e Å3
0 restraintsΔρmin = 0.42 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
Cr10.569912 (17)0.761454 (16)0.47542 (2)0.01886 (7)
Cr20.072286 (17)0.755419 (16)0.44966 (2)0.01909 (7)
Na10.32647 (5)0.56271 (4)0.70824 (7)0.02759 (16)
Na20.81206 (5)0.57606 (4)0.24281 (7)0.02938 (17)
N110.50090 (9)0.68841 (9)0.34859 (13)0.0229 (3)
H110.53150.68100.27420.027*
N120.62573 (10)0.84413 (9)0.35206 (13)0.0244 (3)
H120.59060.85210.28130.029*
N210.00080 (10)0.68971 (9)0.58023 (14)0.0245 (3)
H210.03040.68510.65730.029*
N220.14281 (10)0.82990 (9)0.57148 (14)0.0251 (3)
H220.11090.84230.64280.030*
O1W0.27550 (11)0.46250 (9)0.55721 (14)0.0460 (4)
O2W0.22222 (15)0.53949 (12)0.32709 (19)0.0771 (6)
O3W0.08204 (14)0.46097 (12)0.20083 (19)0.0724 (6)
O110.53413 (8)0.68418 (8)0.60528 (11)0.0275 (3)
O120.46904 (9)0.56974 (8)0.63867 (14)0.0392 (3)
O130.46301 (8)0.82094 (8)0.47778 (13)0.0309 (3)
O140.33731 (9)0.83993 (9)0.37690 (14)0.0418 (4)
O150.67712 (8)0.70361 (7)0.44708 (12)0.0265 (3)
O160.80081 (9)0.70219 (8)0.34152 (14)0.0354 (3)
O170.61902 (8)0.83097 (8)0.61099 (11)0.0284 (3)
O180.67045 (10)0.95159 (9)0.64925 (15)0.0437 (4)
O220.04167 (10)0.56364 (9)0.30465 (15)0.0428 (4)
O210.02415 (8)0.68003 (8)0.32231 (11)0.0279 (3)
O230.02747 (8)0.82570 (8)0.45439 (12)0.0300 (3)
O240.15154 (9)0.85218 (9)0.54951 (14)0.0397 (4)
O250.17376 (8)0.68790 (8)0.46579 (12)0.0281 (3)
O260.30162 (9)0.67233 (9)0.56211 (14)0.0379 (3)
O270.12014 (8)0.82143 (7)0.31209 (11)0.0246 (3)
O280.17737 (9)0.93883 (8)0.27099 (13)0.0328 (3)
C110.49598 (11)0.62060 (11)0.56450 (18)0.0259 (4)
C120.49080 (14)0.61089 (11)0.41689 (19)0.0325 (4)
H12A0.53550.57480.38890.039*
H12B0.43580.58780.39270.039*
C130.41830 (11)0.72727 (12)0.31454 (17)0.0278 (4)
H13A0.37170.69030.32950.033*
H13B0.41780.74080.22210.033*
C140.40343 (12)0.80202 (12)0.39452 (18)0.0284 (4)
C150.73269 (11)0.73411 (11)0.36806 (16)0.0244 (4)
C160.70954 (12)0.81294 (12)0.30695 (18)0.0293 (4)
H16A0.75410.85120.32820.035*
H16B0.70740.80700.21240.035*
C170.63171 (15)0.91842 (11)0.42888 (19)0.0359 (5)
H17A0.58000.94960.41490.043*
H17B0.68010.94950.39900.043*
C180.64285 (12)0.90063 (11)0.57432 (19)0.0293 (4)
C210.01051 (12)0.61721 (11)0.37060 (19)0.0282 (4)
C220.00806 (14)0.61060 (11)0.51900 (19)0.0333 (4)
H22A0.06040.58560.54870.040*
H22B0.03990.57740.54590.040*
C230.08273 (12)0.73027 (12)0.60406 (17)0.0281 (4)
H23A0.08890.73900.69740.034*
H23B0.12930.69600.57510.034*
C240.08960 (12)0.80881 (12)0.53341 (17)0.0278 (4)
C250.23571 (12)0.71048 (12)0.54399 (17)0.0272 (4)
C260.22227 (12)0.78808 (12)0.61549 (17)0.0280 (4)
H26A0.21900.77770.70880.034*
H26B0.27130.82230.60120.034*
C270.15843 (14)0.90304 (11)0.49457 (18)0.0325 (4)
H27A0.21480.92380.51720.039*
H27B0.11620.94280.51770.039*
C280.15351 (11)0.88812 (10)0.34829 (17)0.0236 (4)
H11W0.25790.48810.47580.050*
H21W0.29320.41420.55890.050*
H12W0.20550.58530.35500.050*
H22W0.17950.52410.26960.050*
H13W0.06820.44260.12420.050*
H23W0.04750.50110.21190.050*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cr10.01959 (14)0.02027 (14)0.01670 (12)0.00094 (11)0.00006 (10)0.00112 (10)
Cr20.01922 (14)0.02102 (14)0.01703 (12)0.00188 (11)0.00027 (10)0.00025 (10)
Na10.0277 (4)0.0232 (4)0.0319 (4)0.0016 (3)0.0024 (3)0.0022 (3)
Na20.0284 (4)0.0225 (4)0.0372 (4)0.0025 (3)0.0000 (3)0.0021 (3)
N110.0219 (8)0.0281 (8)0.0187 (7)0.0003 (6)0.0013 (6)0.0011 (6)
N120.0286 (8)0.0238 (8)0.0206 (7)0.0026 (6)0.0027 (6)0.0010 (6)
N210.0246 (8)0.0292 (8)0.0197 (7)0.0009 (6)0.0007 (6)0.0031 (6)
N220.0243 (8)0.0310 (8)0.0199 (7)0.0002 (6)0.0001 (6)0.0046 (6)
O1W0.0674 (11)0.0312 (8)0.0392 (8)0.0062 (8)0.0048 (8)0.0010 (6)
O2W0.1101 (19)0.0616 (13)0.0589 (11)0.0203 (12)0.0243 (12)0.0058 (10)
O3W0.0932 (16)0.0623 (13)0.0619 (12)0.0090 (11)0.0157 (11)0.0265 (10)
O110.0313 (7)0.0305 (7)0.0208 (6)0.0049 (6)0.0012 (5)0.0026 (5)
O120.0374 (8)0.0300 (8)0.0504 (9)0.0007 (6)0.0111 (7)0.0147 (6)
O130.0273 (7)0.0302 (7)0.0353 (7)0.0059 (6)0.0013 (6)0.0041 (6)
O140.0295 (8)0.0497 (9)0.0463 (8)0.0147 (7)0.0061 (6)0.0175 (7)
O150.0237 (7)0.0264 (7)0.0296 (6)0.0010 (5)0.0036 (5)0.0027 (5)
O160.0262 (7)0.0363 (8)0.0438 (8)0.0003 (6)0.0101 (6)0.0106 (6)
O170.0346 (8)0.0293 (7)0.0212 (6)0.0040 (6)0.0033 (5)0.0044 (5)
O180.0445 (9)0.0340 (8)0.0524 (9)0.0019 (7)0.0103 (7)0.0210 (7)
O220.0394 (9)0.0310 (8)0.0577 (9)0.0060 (7)0.0079 (7)0.0134 (7)
O210.0317 (7)0.0294 (7)0.0227 (6)0.0084 (6)0.0033 (5)0.0011 (5)
O230.0262 (7)0.0285 (7)0.0355 (7)0.0037 (6)0.0020 (5)0.0060 (5)
O240.0335 (8)0.0462 (9)0.0395 (8)0.0138 (7)0.0002 (6)0.0069 (7)
O250.0252 (7)0.0289 (7)0.0302 (6)0.0034 (5)0.0015 (5)0.0024 (5)
O260.0270 (8)0.0426 (8)0.0440 (8)0.0072 (6)0.0017 (6)0.0146 (7)
O270.0304 (7)0.0235 (6)0.0200 (6)0.0063 (5)0.0022 (5)0.0001 (5)
O280.0299 (7)0.0235 (7)0.0449 (8)0.0013 (6)0.0029 (6)0.0097 (6)
C110.0208 (9)0.0235 (9)0.0334 (9)0.0048 (7)0.0020 (7)0.0063 (7)
C120.0401 (12)0.0207 (9)0.0366 (10)0.0034 (8)0.0070 (8)0.0013 (7)
C130.0212 (9)0.0373 (10)0.0250 (8)0.0026 (8)0.0036 (7)0.0061 (7)
C140.0231 (9)0.0332 (10)0.0289 (9)0.0039 (8)0.0061 (7)0.0114 (7)
C150.0233 (9)0.0263 (9)0.0235 (8)0.0037 (7)0.0017 (7)0.0068 (7)
C160.0289 (10)0.0327 (10)0.0264 (9)0.0046 (8)0.0045 (7)0.0023 (7)
C170.0500 (13)0.0216 (10)0.0361 (10)0.0034 (9)0.0021 (9)0.0001 (8)
C180.0250 (10)0.0276 (10)0.0352 (10)0.0006 (8)0.0019 (8)0.0094 (8)
C210.0225 (9)0.0241 (9)0.0380 (10)0.0005 (7)0.0026 (8)0.0033 (8)
C220.0373 (12)0.0243 (10)0.0384 (11)0.0027 (8)0.0078 (9)0.0064 (8)
C230.0222 (9)0.0361 (11)0.0259 (9)0.0015 (8)0.0028 (7)0.0008 (7)
C240.0244 (10)0.0335 (10)0.0253 (9)0.0018 (8)0.0037 (7)0.0051 (7)
C250.0226 (9)0.0347 (10)0.0241 (8)0.0009 (8)0.0017 (7)0.0102 (7)
C260.0247 (10)0.0371 (11)0.0222 (8)0.0057 (8)0.0050 (7)0.0026 (7)
C270.0422 (12)0.0211 (9)0.0340 (10)0.0019 (8)0.0067 (8)0.0058 (8)
C280.0185 (9)0.0200 (9)0.0321 (9)0.0035 (7)0.0011 (7)0.0012 (7)
Geometric parameters (Å, º) top
Cr1—O131.9443 (13)O3W—H23W0.873
Cr1—O111.9442 (12)O11—C111.291 (2)
Cr1—O151.9585 (13)O12—C111.221 (2)
Cr1—O171.9603 (12)O13—C141.290 (2)
Cr1—N112.0758 (15)O14—C141.223 (2)
Cr1—N122.0757 (14)O15—C151.297 (2)
Cr2—O271.9468 (12)O16—C151.223 (2)
Cr2—O251.9528 (13)O17—C181.288 (2)
Cr2—O231.9550 (13)O18—C181.224 (2)
Cr2—O211.9593 (13)O22—C211.223 (2)
Cr2—N212.0686 (14)O21—C211.289 (2)
Cr2—N222.0715 (15)O23—C241.299 (2)
Na1—O122.3437 (16)O24—C241.223 (2)
Na1—O18i2.3704 (15)O25—C251.301 (2)
Na1—O14ii2.3818 (16)O26—C251.223 (2)
Na1—O262.4017 (15)O27—C281.290 (2)
Na1—O1W2.4131 (17)O28—C281.224 (2)
Na1—O28ii2.4179 (15)C11—C121.516 (3)
Na2—O28iii2.3221 (15)C12—H12A0.97
Na2—O162.3589 (15)C12—H12B0.97
Na2—O22iv2.3659 (17)C13—C141.520 (3)
Na2—O24v2.3879 (15)C13—H13A0.97
Na2—O18vi2.4376 (17)C13—H13B0.97
Na2—O1Wvii2.5531 (18)C15—C161.509 (3)
N11—C131.481 (2)C16—H16A0.97
N11—C121.490 (2)C16—H16B0.97
N11—H110.91C17—C181.522 (3)
N12—C171.479 (2)C17—H17A0.97
N12—C161.486 (2)C17—H17B0.97
N12—H120.91C21—C221.518 (3)
N21—C221.478 (2)C22—H22A0.97
N21—C231.493 (2)C22—H22B0.97
N21—H210.91C23—C241.510 (3)
N22—C271.483 (2)C23—H23A0.97
N22—C261.489 (2)C23—H23B0.97
N22—H220.91C25—C261.513 (3)
O1W—H11W0.972C26—H26A0.97
O1W—H21W0.859C26—H26B0.97
O2W—H12W0.865C27—C281.515 (3)
O2W—H22W0.919C27—H27A0.97
O3W—H13W0.866C27—H27B0.97
O13—Cr1—O1194.78 (6)C11—O11—Cr1118.08 (11)
O13—Cr1—O15172.18 (5)C11—O12—Na1123.91 (13)
O11—Cr1—O1591.15 (5)C14—O13—Cr1118.27 (12)
O13—Cr1—O1790.57 (6)C14—O14—Na1vi121.16 (12)
O11—Cr1—O1791.82 (5)C15—O15—Cr1118.17 (12)
O15—Cr1—O1794.34 (6)C15—O16—Na2124.05 (12)
O13—Cr1—N1182.89 (6)C18—O17—Cr1116.79 (11)
O11—Cr1—N1182.94 (6)C18—O18—Na1viii160.26 (14)
O15—Cr1—N1192.80 (6)C18—O18—Na2ii114.81 (13)
O17—Cr1—N11171.23 (6)Na1viii—O18—Na2ii84.24 (5)
O13—Cr1—N1291.57 (6)C21—O22—Na2ix117.12 (13)
O11—Cr1—N12171.33 (6)C21—O21—Cr2115.94 (11)
O15—Cr1—N1283.08 (6)C24—O23—Cr2118.79 (12)
O17—Cr1—N1282.20 (5)C24—O24—Na2x127.55 (13)
N11—Cr1—N12103.74 (6)C25—O25—Cr2118.34 (12)
O27—Cr2—O2594.38 (5)C25—O26—Na1128.76 (12)
O27—Cr2—O2389.07 (5)C28—O27—Cr2116.60 (11)
O25—Cr2—O23173.57 (5)C28—O28—Na2xi139.16 (13)
O27—Cr2—O2192.24 (5)C28—O28—Na1vi117.65 (12)
O25—Cr2—O2188.90 (6)Na2xi—O28—Na1vi85.73 (5)
O23—Cr2—O2196.39 (6)O12—C11—O11122.88 (18)
O27—Cr2—N21169.88 (6)O12—C11—C12121.71 (18)
O25—Cr2—N2194.37 (6)O11—C11—C12115.34 (15)
O23—Cr2—N2182.72 (6)N11—C12—C11111.44 (15)
O21—Cr2—N2182.85 (6)N11—C12—H12A109.3
O27—Cr2—N2283.19 (6)C11—C12—H12A109.3
O25—Cr2—N2283.09 (6)N11—C12—H12B109.3
O23—Cr2—N2291.95 (6)C11—C12—H12B109.3
O21—Cr2—N22170.43 (6)H12A—C12—H12B108.0
N21—Cr2—N22102.92 (6)N11—C13—C14112.23 (15)
O12—Na1—O18i102.36 (6)N11—C13—H13A109.2
O12—Na1—O14ii97.20 (6)C14—C13—H13A109.2
O18i—Na1—O14ii95.74 (6)N11—C13—H13B109.2
O12—Na1—O2685.35 (5)C14—C13—H13B109.2
O18i—Na1—O26171.82 (6)H13A—C13—H13B107.9
O14ii—Na1—O2685.89 (6)O14—C14—O13124.41 (19)
O12—Na1—O1W98.47 (6)O14—C14—C13119.18 (18)
O18i—Na1—O1W80.97 (6)O13—C14—C13116.41 (16)
O14ii—Na1—O1W164.32 (6)O16—C15—O15123.48 (17)
O26—Na1—O1W95.30 (6)O16—C15—C16119.92 (16)
O12—Na1—O28ii176.76 (6)O15—C15—C16116.60 (15)
O18i—Na1—O28ii80.85 (6)N12—C16—C15112.92 (14)
O14ii—Na1—O28ii82.84 (5)N12—C16—H16A109.0
O26—Na1—O28ii91.43 (5)C15—C16—H16A109.0
O1W—Na1—O28ii81.50 (6)N12—C16—H16B109.0
O28iii—Na2—O16158.19 (6)C15—C16—H16B109.0
O28iii—Na2—O22iv81.91 (5)H16A—C16—H16B107.8
O16—Na2—O22iv92.43 (5)N12—C17—C18110.84 (15)
O28iii—Na2—O24v115.86 (6)N12—C17—H17A109.5
O16—Na2—O24v85.20 (6)C18—C17—H17A109.5
O22iv—Na2—O24v91.54 (6)N12—C17—H17B109.5
O28iii—Na2—O18vi81.40 (5)C18—C17—H17B109.5
O16—Na2—O18vi105.51 (6)H17A—C17—H17B108.1
O22iv—Na2—O18vi162.06 (6)O18—C18—O17123.91 (19)
O24v—Na2—O18vi89.81 (5)O18—C18—C17120.38 (18)
O28iii—Na2—O1Wvii80.46 (5)O17—C18—C17115.67 (16)
O16—Na2—O1Wvii81.06 (5)O22—C21—O21124.13 (18)
O22iv—Na2—O1Wvii106.69 (6)O22—C21—C22119.96 (18)
O24v—Na2—O1Wvii157.51 (6)O21—C21—C22115.87 (16)
O18vi—Na2—O1Wvii76.94 (6)N21—C22—C21110.89 (15)
C13—N11—C12113.61 (15)N21—C22—H22A109.5
C13—N11—Cr1109.01 (11)C21—C22—H22A109.5
C12—N11—Cr1106.56 (11)N21—C22—H22B109.5
C13—N11—H11109.2C21—C22—H22B109.5
C12—N11—H11109.2H22A—C22—H22B108.1
Cr1—N11—H11109.2N21—C23—C24112.33 (14)
C17—N12—C16114.44 (15)N21—C23—H23A109.1
C17—N12—Cr1105.69 (11)C24—C23—H23A109.1
C16—N12—Cr1109.10 (11)N21—C23—H23B109.1
C17—N12—H12109.2C24—C23—H23B109.1
C16—N12—H12109.2H23A—C23—H23B107.9
Cr1—N12—H12109.2O24—C24—O23123.23 (19)
C22—N21—C23113.88 (15)O24—C24—C23120.69 (17)
C22—N21—Cr2104.98 (10)O23—C24—C23116.06 (16)
C23—N21—Cr2109.75 (11)O26—C25—O25123.62 (19)
C22—N21—H21109.4O26—C25—C26120.15 (18)
C23—N21—H21109.4O25—C25—C26116.24 (16)
Cr2—N21—H21109.4N22—C26—C25112.53 (14)
C27—N22—C26114.29 (15)N22—C26—H26A109.1
C27—N22—Cr2105.98 (11)C25—C26—H26A109.1
C26—N22—Cr2109.08 (11)N22—C26—H26B109.1
C27—N22—H22109.1C25—C26—H26B109.1
C26—N22—H22109.1H26A—C26—H26B107.8
Cr2—N22—H22109.1N22—C27—C28112.16 (14)
Na1—O1W—Na2vii80.94 (5)N22—C27—H27A109.2
Na1—O1W—H11W108.79C28—C27—H27A109.2
Na2vii—O1W—H11W130.38N22—C27—H27B109.2
Na1—O1W—H21W123.16C28—C27—H27B109.2
Na2vii—O1W—H21W85.24H27A—C27—H27B107.9
H11W—O1W—H21W121.62O28—C28—O27123.24 (17)
H12W—O2W—H22W104.1O28—C28—C27120.48 (17)
H13W—O3W—H23W104.3O27—C28—C27116.22 (15)
Symmetry codes: (i) x+1, y1/2, z+3/2; (ii) x, y+3/2, z+1/2; (iii) x+1, y1/2, z+1/2; (iv) x+1, y, z; (v) x+1, y+3/2, z1/2; (vi) x, y+3/2, z1/2; (vii) x+1, y+1, z+1; (viii) x+1, y+1/2, z+3/2; (ix) x1, y, z; (x) x1, y+3/2, z+1/2; (xi) x+1, y+1/2, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N11—H11···O17vi0.912.183.0799 (18)173
N12—H12···O11vi0.912.082.9174 (18152
N21—H21···O27ii0.912.102.9958 (19)169
N22—H22···O21ii0.912.323.1809 (19)157
O1W—H11W···O2W0.971.832.799 (2)177
O1w—H21w···O15vii0.862.042.895 (2)174
O2w—H12w···O250.862.132.975 (2)167
O2w—H22w···O3w0.921.982.847 (3)158
O3w—H13w···O23xii0.872.222.896 (2)135
O3w—H23w···O220.871.992.807 (3)155
Symmetry codes: (ii) x, y+3/2, z+1/2; (vi) x, y+3/2, z1/2; (vii) x+1, y+1, z+1; (xii) x, y1/2, z+1/2.
 

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