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The title complex, [Cr(H2O)6][Na(C10H8O6)2(H2O)3]·5H2O (C10H8O6 = benzene-1,3-dioxy­acetate), consists of [Na(C10H8O6)2(H2O)3]3− trianions, [Cr(H2O)6]3+ trications and five uncoordinated water mol­ecules. The Cr cation has six-coordinate slightly distorted octahedral geometry, whereas the Na-ion coordination is distorted trigonal prismatic. The cations, anions and water molecules are linked by O—H...O intermolecular hydrogen bonds into a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804009067/lh6201sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804009067/lh6201Isup2.hkl
Contains datablock I

CCDC reference: 223003

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.041
  • wR factor = 0.107
  • Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.04 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.02 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 18 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C20 H22 Na O15 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 6 H2 O
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Triaquabis(benzene-1,3-dioxyacetato)sodium(I) hexaaquachromium(III) pentahydrate top
Crystal data top
[Na(C10H8O6)2(H2O)3][Cr(H2O)6]·5H2OZ = 2
Mr = 775.54F(000) = 814
Triclinic, P1Dx = 1.563 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.334 (2) ÅCell parameters from 7094 reflections
b = 11.780 (2) Åθ = 3.0–27.4°
c = 16.303 (3) ŵ = 0.46 mm1
α = 103.54 (3)°T = 293 K
β = 104.82 (3)°Rhombus, purple
γ = 97.78 (3)°0.32 × 0.23 × 0.18 mm
V = 1648.1 (7) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
7345 independent reflections
Radiation source: fine-focus sealed tube5533 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.027
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 3.0°
ω scanh = 1212
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1515
Tmin = 0.866, Tmax = 0.922l = 2119
15466 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)] = 0.041Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.107H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.0568P)2 + 0.6104P]
where P = (Fo2 + 2Fc2)/3
7345 reflections(Δ/σ)max = 0.001
517 parametersΔρmax = 0.38 e Å3
42 restraintsΔρmin = 0.36 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cr10.38100 (4)0.11235 (3)0.24507 (2)0.01856 (9)
Na10.2140 (1)0.82253 (9)0.24471 (8)0.0493 (3)
O1W0.4221 (2)0.1428 (1)0.37358 (9)0.0263 (3)
O2W0.1645 (2)0.1174 (1)0.2343 (1)0.0260 (3)
O3W0.3399 (2)0.0785 (1)0.11657 (9)0.0281 (3)
O4W0.4154 (2)0.2830 (1)0.2536 (1)0.0277 (3)
O5W0.3414 (2)0.0600 (1)0.2335 (1)0.0269 (3)
O6W0.5964 (2)0.1139 (1)0.2569 (1)0.0272 (3)
O7W0.3749 (2)0.6470 (2)0.2411 (1)0.0444 (4)
O8W0.1073 (2)0.9425 (2)0.1585 (1)0.0472 (5)
O9W0.0019 (2)0.7269 (2)0.2358 (1)0.0487 (5)
O10W0.0160 (2)0.4699 (2)0.2442 (1)0.0476 (5)
O11W0.6653 (2)0.4167 (2)0.2408 (2)0.0519 (5)
O12W0.7343 (2)0.1299 (2)0.1334 (1)0.0420 (4)
O13W0.3071 (2)0.1614 (2)0.3601 (1)0.0391 (4)
O14W0.5338 (2)0.3452 (2)0.6320 (1)0.0436 (4)
O10.2883 (2)0.9724 (1)0.3414 (1)0.0336 (4)
O20.3548 (2)1.0685 (2)0.4571 (1)0.0361 (4)
O30.1366 (2)0.8472 (1)0.4371 (1)0.0334 (4)
O40.1742 (2)0.5699 (1)0.4453 (1)0.0326 (4)
O50.2971 (2)0.4226 (1)0.3507 (1)0.0340 (4)
O60.3884 (2)0.3475 (1)0.4617 (1)0.0316 (4)
O70.5900 (2)0.8918 (1)0.0372 (1)0.0362 (4)
O80.4883 (2)0.8279 (2)0.1524 (1)0.0362 (4)
O90.3775 (2)0.6687 (1)0.0553 (1)0.0293 (3)
O100.1288 (2)0.3509 (1)0.0408 (1)0.0304 (4)
O110.10743 (2)0.1420 (1)0.0236 (1)0.0339 (4)
O120.0334 (2)0.2368 (1)0.1371 (1)0.0327 (4)
C10.2894 (2)0.9945 (2)0.4204 (1)0.0257 (4)
C20.2071 (3)0.9308 (2)0.4816 (1)0.0289 (5)
C30.0535 (2)0.7881 (2)0.4893 (1)0.0250 (4)
C40.0179 (3)0.7079 (2)0.4460 (1)0.0269 (5)
C50.1069 (2)0.6466 (2)0.4934 (1)0.0240 (4)
C60.1241 (3)0.6628 (2)0.5831 (1)0.0282 (5)
C70.0493 (3)0.7418 (2)0.6240 (1)0.0301 (5)
C80.0393 (2)0.8051 (2)0.5785 (1)0.0265 (4)
C90.2574 (2)0.4997 (2)0.4912 (1)0.0252 (4)
C100.3177 (2)0.4169 (2)0.4287 (1)0.0252 (4)
C110.5150 (2)0.8267 (2)0.0732 (1)0.0236 (4)
C120.4548 (2)0.7435 (2)0.0114 (1)0.0240 (4)
C130.3220 (2)0.5869 (2)0.0033 (1)0.0221 (4)
C140.2535 (2)0.5089 (2)0.0438 (1)0.0237 (4)
C150.1933 (2)0.4246 (2)0.0042 (1)0.0229 (4)
C160.1996 (3)0.4178 (2)0.0917 (1)0.0275 (5)
C170.2674 (3)0.4972 (2)0.1300 (1)0.0286 (5)
C180.3295 (2)0.5816 (2)0.0845 (1)0.0263 (4)
C190.0547 (2)0.2707 (2)0.0048 (1)0.0258 (4)
C200.0352 (2)0.2123 (2)0.0575 (1)0.0253 (4)
H1W10.414 (3)0.211 (1)0.402 (2)0.039*
H1W20.501 (2)0.123 (2)0.400 (1)0.039*
H2W10.104 (2)0.052 (1)0.221 (2)0.039*
H2W20.125 (3)0.161 (2)0.204 (2)0.039*
H3W10.260 (2)0.094 (2)0.087 (1)0.042*
H3W20.359 (3)0.015 (2)0.089 (1)0.042*
H4W10.378 (2)0.331 (2)0.286 (2)0.042*
H4W20.499 (2)0.317 (2)0.252 (2)0.042*
H5W10.342 (3)0.076 (2)0.281 (1)0.040*
H5W20.394 (3)0.101 (2)0.208 (1)0.040*
H6W10.639 (3)0.071 (2)0.287 (1)0.041*
H6W20.635 (3)0.118 (2)0.216 (1)0.041*
H7W10.419 (3)0.661 (3)0.282 (1)0.067*
H7W20.439 (3)0.645 (3)0.192 (1)0.067*
H8W10.086 (4)0.908 (3)0.113 (1)0.071*
H8W20.159 (4)0.994 (2)0.149 (2)0.071*
H9W10.011 (3)0.653 (1)0.231 (2)0.073*
H9W20.087 (2)0.763 (2)0.269 (2)0.073*
H2A0.13090.98870.53110.035*
H2B0.27820.88970.50450.035*
H40.00580.69570.38590.032*
H60.18450.62150.61480.034*
H70.05920.75240.68370.036*
H80.08840.85800.60690.032*
H9A0.19240.45340.51470.030*
H9B0.34090.55120.54020.030*
H12A0.53800.69490.03910.029*
H12B0.38600.78970.01010.029*
H140.24790.51300.10220.028*
H160.15890.36110.12340.033*
H170.27150.49390.18810.034*
H180.37560.63400.11160.032*
H19A0.01230.31400.02900.031*
H19B0.12940.21020.05340.031*
H20A0.052 (3)0.468 (3)0.290 (1)0.071*
H20B0.015 (4)0.414 (2)0.200 (1)0.071*
H21A0.757 (2)0.414 (3)0.245 (2)0.078*
H21B0.652 (3)0.487 (1)0.244 (2)0.078*
H22A0.811 (2)0.183 (2)0.143 (2)0.063*
H22B0.675 (3)0.119 (3)0.082 (1)0.063*
H23A0.321 (3)0.123 (2)0.4140 (9)0.059*
H23B0.362 (3)0.214 (2)0.360 (2)0.059*
H24A0.478 (3)0.337 (3)0.580 (1)0.065*
H24B0.602 (3)0.408 (2)0.648 (2)0.065*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cr10.0218 (2)0.0191 (2)0.0192 (2)0.0100 (1)0.0081 (1)0.0081 (1)
Na10.0538 (7)0.0384 (6)0.0693 (8)0.0184 (5)0.0320 (6)0.0207 (5)
O1W0.0326 (9)0.0287 (8)0.0217 (8)0.0176 (7)0.0082 (6)0.0084 (6)
O2W0.0249 (8)0.0285 (8)0.0303 (8)0.0115 (6)0.0097 (6)0.0137 (7)
O3W0.0379 (9)0.0300 (8)0.0209 (7)0.0204 (7)0.0088 (6)0.0083 (6)
O4W0.0364 (9)0.0216 (7)0.0324 (8)0.0125 (6)0.0170 (7)0.0103 (6)
O5W0.0373 (9)0.0218 (7)0.0283 (8)0.0127 (6)0.0155 (7)0.0096 (6)
O6W0.0255 (8)0.0359 (8)0.0295 (8)0.0153 (7)0.0121 (6)0.0173 (7)
O7W0.052 (1)0.043 (1)0.041 (1)0.0107 (9)0.0123 (9)0.0173 (9)
O8W0.052 (1)0.040 (1)0.049 (1)0.0100 (9)0.0155 (9)0.0099 (9)
O9W0.052 (1)0.053 (1)0.046 (1)0.016 (1)0.0172 (9)0.015 (1)
O10W0.049 (1)0.058 (1)0.038 (1)0.023 (1)0.0115 (9)0.0111 (9)
O11W0.042 (1)0.049 (1)0.081 (2)0.0156 (9)0.024 (1)0.038 (1)
O12W0.034 (1)0.067 (1)0.0318 (9)0.0117 (9)0.0127 (8)0.0238 (9)
O13W0.056 (1)0.039 (1)0.0306 (9)0.0182 (8)0.0164 (8)0.0154 (8)
O14W0.057 (1)0.037 (1)0.037 (1)0.0092 (9)0.0115 (9)0.0147 (8)
O10.046 (1)0.0345 (8)0.0271 (8)0.0211 (7)0.0111 (7)0.0131 (7)
O20.045 (1)0.0399 (9)0.0304 (9)0.0292 (8)0.0108 (7)0.0118 (7)
O30.047 (1)0.0378 (9)0.0277 (8)0.0300 (8)0.0150 (7)0.0155 (7)
O40.044 (1)0.0362 (9)0.0302 (8)0.0282 (8)0.0179 (7)0.0151 (7)
O50.046 (1)0.0333 (9)0.0302 (8)0.0209 (8)0.0168 (7)0.0103 (7)
O60.0356 (9)0.0298 (8)0.0318 (8)0.0200 (7)0.0082 (7)0.0076 (7)
O70.051 (1)0.0357 (9)0.0261 (8)0.0286 (8)0.0097 (7)0.0082 (7)
O80.052 (1)0.0387 (9)0.0275 (8)0.0268 (8)0.0170 (8)0.0116 (7)
O90.0423 (9)0.0306 (8)0.0250 (8)0.0245 (7)0.0142 (7)0.0122 (6)
O100.0410 (9)0.0319 (8)0.0304 (8)0.0241 (7)0.0162 (7)0.0158 (7)
O110.0378 (9)0.0328 (8)0.0361 (9)0.0227 (7)0.0096 (7)0.0118 (7)
O120.0346 (9)0.0392 (9)0.0344 (9)0.0197 (7)0.0135 (7)0.0188 (7)
C10.027 (1)0.025 (1)0.027 (1)0.0108 (9)0.0059 (9)0.0099 (9)
C20.037 (1)0.031 (1)0.028 (1)0.021 (1)0.0135 (9)0.0130 (9)
C30.028 (1)0.024 (1)0.027 (1)0.0115 (9)0.0083 (9)0.0104 (8)
C40.035 (1)0.030 (1)0.024 (1)0.0160 (9)0.0131 (9)0.0136 (9)
C50.026 (1)0.022 (1)0.029 (1)0.0101 (8)0.0129 (9)0.0093 (8)
C60.030 (1)0.032 (1)0.026 (1)0.0172 (9)0.0049 (9)0.0107 (9)
C70.038 (1)0.034 (1)0.020 (1)0.016 (1)0.0077 (9)0.0076 (9)
C80.029 (1)0.028 (1)0.026 (1)0.0139 (9)0.0103 (9)0.0067 (9)
C90.027 (1)0.027 (1)0.027 (1)0.0134 (9)0.0087 (9)0.0101 (9)
C100.023 (1)0.021 (1)0.031 (1)0.0066 (8)0.0074 (9)0.0051 (8)
C110.024 (1)0.021 (1)0.026 (1)0.0088 (8)0.0073 (8)0.0050 (8)
C120.029 (1)0.026 (1)0.024 (1)0.0153 (9)0.0102 (8)0.0112 (8)
C130.022 (1)0.023 (1)0.023 (1)0.0098 (8)0.0086 (8)0.0062 (8)
C140.027 (1)0.027 (1)0.022 (1)0.0107 (8)0.0093 (8)0.0099 (8)
C150.023 (1)0.023 (1)0.026 (1)0.0109 (8)0.0059 (8)0.0109 (8)
C160.034 (1)0.029 (1)0.024 (1)0.0176 (9)0.0104 (9)0.0075 (9)
C170.034 (1)0.035 (1)0.020 (1)0.015 (1)0.0095 (9)0.0092 (9)
C180.030 (1)0.028 (1)0.025 (1)0.0137 (9)0.0063 (9)0.0116 (9)
C190.028 (1)0.027 (1)0.028 (1)0.0161 (9)0.0102 (9)0.0095 (9)
C200.022 (1)0.023 (1)0.033 (1)0.0077 (8)0.0066 (9)0.0101 (9)
Geometric parameters (Å, º) top
Cr1—O1W1.966 (2)O4—C51.378 (2)
Cr1—O2W1.994 (2)O4—C91.419 (2)
Cr1—O3W1.962 (2)O5—C101.256 (3)
Cr1—O4W1.959 (2)O6—C101.251 (3)
Cr1—O5W1.969 (2)O7—C111.253 (3)
Cr1—O6W1.967 (2)O8—C111.247 (3)
Na1—O12.381 (2)O9—C121.419 (2)
Na1—O32.966 (2)O9—C131.376 (2)
Na1—O82.635 (2)O10—C151.366 (2)
Na1—O7W2.365 (2)O10—C191.426 (2)
Na1—O8W2.495 (2)O11—C201.254 (3)
Na1—O9W2.426 (2)O12—C201.267 (3)
Na1—H7W22.56 (3)C1—C21.503 (3)
O1W—H1W10.85 (2)C2—H2A0.9700
O1W—H1W20.85 (2)C2—H2B0.9700
O2W—H2W10.84 (2)C3—C41.391 (3)
O2W—H2W20.86 (2)C3—C81.390 (3)
O3W—H3W10.85 (2)C4—C51.381 (3)
O3W—H3W20.84 (2)C4—H40.9300
O4W—H4W10.85 (2)C5—C61.393 (3)
O4W—H4W20.84 (2)C6—C71.387 (3)
O5W—H5W10.84 (2)C6—H60.9300
O5W—H5W20.85 (3)C7—C81.380 (3)
O6W—H6W10.85 (2)C7—H70.9300
O6W—H6W20.85 (2)C8—H80.9300
O7W—H7W10.86 (2)C9—C101.511 (3)
O7W—H7W20.86 (2)C9—H9A0.9700
O8W—H8W10.84 (3)C9—H9B0.9700
O8W—H8W20.84 (3)C11—C121.507 (3)
O9W—H9W10.84 (2)C12—H12A0.9700
O9W—H9W20.85 (3)C12—H12B0.9700
O10W—H20A0.85 (2)C13—C141.384 (3)
O10W—H20B0.85 (2)C13—C181.400 (3)
O11W—H21A0.84 (2)C14—C151.388 (3)
O11W—H21B0.85 (2)C14—H140.9300
O12W—H22A0.84 (2)C15—C161.396 (3)
O12W—H22B0.85 (2)C16—C171.377 (3)
O13W—H23A0.86 (3)C16—H160.9300
O13W—H23B0.86 (3)C17—C181.380 (3)
O14W—H24A0.85 (3)C17—H170.9300
O14W—H24B0.84 (3)C18—H180.9300
O1—C11.256 (3)C19—C201.502 (3)
O2—C11.256 (3)C19—H19A0.9700
O3—C21.420 (2)C19—H19B0.9700
O3—C31.377 (2)
O1W—Cr1—O2W89.14 (7)O9—C12—H12A109.5
O1W—Cr1—O5W88.70 (7)O9—C12—H12B109.5
O3W—Cr1—O1W178.83 (6)O9—C13—C14115.6 (2)
O3W—Cr1—O2W91.06 (7)O9—C13—C18123.8 (2)
O3W—Cr1—O5W90.14 (7)O10—C15—C14115.0 (2)
O3W—Cr1—O6W89.26 (7)O10—C15—C16123.7 (2)
O4W—Cr1—O1W92.50 (7)O10—C19—C20110.0 (2)
O4W—Cr1—O2W87.64 (7)O10—C19—H19A109.7
O4W—Cr1—O3W88.66 (7)O10—C19—H19B109.7
O4W—Cr1—O5W178.37 (7)O11—C20—O12126.0 (2)
O4W—Cr1—O6W90.28 (7)O11—C20—C19114.6 (2)
O5W—Cr1—O2W91.28 (7)O12—C20—C19119.5 (2)
O6W—Cr1—O1W90.58 (7)C1—O1—Na1135.4 (1)
O6W—Cr1—O2W177.88 (7)C1—C2—H2A109.4
O6W—Cr1—O5W90.82 (7)C1—C2—H2B109.4
O7W—Na1—O8W147.08 (9)C2—O3—Na1112.9 (1)
O7W—Na1—O9W94.21 (8)C3—O3—Na1132.1 (1)
O7W—Na1—O1101.84 (8)C3—O3—C2114.9 (2)
O7W—Na1—O380.76 (8)C3—C4—H4120.5
O7W—Na1—O873.64 (7)C3—C8—H8120.7
O8W—Na1—O3131.81 (8)C4—C3—C8121.1 (2)
O8W—Na1—O888.97 (8)C4—C5—C6121.0 (2)
O9W—Na1—O8W82.57 (8)C5—O4—C9116.0 (2)
O9W—Na1—O390.36 (7)C5—C4—C3119.1 (2)
O9W—Na1—O8142.29 (8)C5—C4—H4120.5
O1—Na1—O8W100.74 (7)C5—C6—H6120.7
O1—Na1—O9W141.47 (9)C6—C7—H7119.1
O1—Na1—O358.68 (6)C7—C6—C5118.6 (2)
O1—Na1—O876.20 (7)C7—C6—H6120.7
O8—Na1—O3121.38 (6)C7—C8—C3118.6 (2)
Cr1—O1W—H1W1117 (2)C7—C8—H8120.7
Cr1—O1W—H1W2116 (2)C8—C7—C6121.7 (2)
Cr1—O2W—H2W1117 (2)C8—C7—H7119.1
Cr1—O2W—H2W2116 (2)C10—C9—H9A109.8
Cr1—O3W—H3W1119 (2)C10—C9—H9B109.8
Cr1—O3W—H3W2118 (2)C11—O8—Na1120.2 (1)
Cr1—O4W—H4W1121 (2)C11—C12—H12A109.5
Cr1—O4W—H4W2119 (2)C11—C12—H12B109.5
Cr1—O5W—H5W1114 (2)C13—O9—C12114.8 (2)
Cr1—O5W—H5W2117 (2)C13—C14—C15118.9 (2)
Cr1—O6W—H6W1118 (2)C13—C14—H14120.5
Cr1—O6W—H6W2123 (2)C13—C18—H18120.6
Na1—O7W—H7W1111 (2)C14—C13—C18120.7 (2)
Na1—O7W—H7W294 (2)C14—C15—C16121.3 (2)
Na1—O8W—H8W1120 (2)C15—O10—C19115.7 (2)
Na1—O8W—H8W2110 (2)C15—C14—H14120.5
Na1—O9W—H9W1120 (2)C15—C16—H16120.8
Na1—O9W—H9W2119 (2)C16—C17—C18121.9 (2)
O7W—Na1—H7W219.5 (3)C16—C17—H17119.1
O8W—Na1—H7W2129.9 (4)C17—C16—C15118.4 (2)
O9W—Na1—H7W2102.8 (6)C17—C16—H16120.8
O1—Na1—H7W2103.8 (6)C17—C18—C13118.8 (2)
O1—C1—C2120.8 (2)C17—C18—H18120.6
O2—C1—O1126.1 (2)C18—C17—H17119.1
O2—C1—C2113.0 (2)C20—C19—H19A109.7
O3—Na1—H7W298.2 (4)C20—C19—H19B109.7
O3—C2—C1111.1 (2)H1W1—O1W—H1W2111 (2)
O3—C2—H2A109.4H2W1—O2W—H2W2109 (2)
O3—C2—H2B109.4H3W1—O3W—H3W2111 (2)
O3—C3—C4114.9 (2)H4W1—O4W—H4W2111 (2)
O3—C3—C8124.1 (2)H5W1—O5W—H5W2110 (2)
O4—C5—C4115.1 (2)H6W1—O6W—H6W2110 (2)
O4—C5—C6124.0 (2)H7W1—O7W—H7W2107 (2)
O4—C9—C10109.5 (2)H8W1—O8W—H8W2112 (2)
O4—C9—H9A109.8H9W1—O9W—H9W2109 (2)
O4—C9—H9B109.8H2A—C2—H2B108.0
O5—C10—C9120.1 (2)H9A—C9—H9B108.2
O6—C10—O5125.2 (2)H12A—C12—H12B108.1
O6—C10—C9114.8 (2)H19A—C19—H19B108.2
O7—C11—C12113.5 (2)H20A—O10W—H20B109 (2)
O8—Na1—H7W256.5 (5)H21A—O11W—H21B110 (2)
O8—C11—O7125.6 (2)H22A—O12W—H22B109 (2)
O8—C11—C12120.9 (2)H23A—O13W—H23B108 (2)
O9—C12—C11110.5 (2)H24A—O14W—H24B110 (2)
Na1—O1—C1—O2168.3 (2)O8—Na1—O3—C3137.5 (2)
Na1—O1—C1—C212.0 (3)O8—C11—C12—O93.5 (3)
Na1—O3—C2—C16.1 (2)O9—C13—C14—C15179.4 (2)
Na1—O3—C3—C45.7 (3)O9—C13—C18—C17178.7 (2)
Na1—O3—C3—C8174.4 (2)O10—C15—C16—C17179.9 (2)
Na1—O8—C11—O7135.5 (2)O10—C19—C20—O11178.4 (2)
Na1—O8—C11—C1243.7 (3)O10—C19—C20—O121.3 (3)
O7W—Na1—O1—C160.5 (2)C2—O3—C3—C4178.8 (2)
O7W—Na1—O3—C2102.3 (2)C2—O3—C3—C81.1 (3)
O7W—Na1—O3—C373.19 (19)C3—O3—C2—C1177.6 (2)
O7W—Na1—O8—C11117.6 (2)C3—C4—C5—O4179.4 (2)
O8W—Na1—O1—C1143.6 (2)C3—C4—C5—C61.0 (3)
O8W—Na1—O3—C283.1 (2)C4—C3—C8—C70.9 (3)
O8W—Na1—O3—C3101.4 (2)C4—C5—C6—C70.2 (3)
O8W—Na1—O8—C1134.0 (2)C5—O4—C9—C10177.5 (2)
O9W—Na1—O1—C152.1 (3)C5—C6—C7—C80.8 (4)
O9W—Na1—O3—C2163.5 (2)C6—C7—C8—C30.2 (4)
O9W—Na1—O3—C321.0 (2)C8—C3—C4—C51.5 (3)
O9W—Na1—O8—C1142.4 (2)C9—O4—C5—C4175.7 (2)
O1—Na1—O3—C27.7 (2)C9—O4—C5—C63.9 (3)
O1—Na1—O3—C3176.8 (2)C12—O9—C13—C14176.7 (2)
O1—Na1—O8—C11135.4 (2)C12—O9—C13—C184.5 (3)
O1—C1—C2—O31.0 (3)C13—O9—C12—C11178.2 (2)
O2—C1—C2—O3179.3 (2)C13—C14—C15—O10179.6 (2)
O3—Na1—O1—C110.9 (2)C13—C14—C15—C160.5 (3)
O3—Na1—O8—C11174.4 (1)C14—C13—C18—C170.0 (3)
O3—C3—C4—C5178.4 (2)C14—C15—C16—C170.0 (3)
O3—C3—C8—C7179.0 (2)C15—O10—C19—C20169.4 (2)
O4—C5—C6—C7179.4 (2)C15—C16—C17—C180.5 (4)
O4—C9—C10—O53.6 (3)C16—C17—C18—C130.5 (4)
O4—C9—C10—O6177.5 (2)C18—C13—C14—C150.5 (3)
O7—C11—C12—O9177.2 (2)C19—O10—C15—C14174.7 (2)
O8—Na1—O1—C1130.1 (2)C19—O10—C15—C165.2 (3)
O8—Na1—O3—C238.0 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O60.85 (2)1.76 (3)2.606 (2)177 (3)
O1W—H1W2···O2i0.85 (2)1.72 (3)2.561 (2)173 (3)
O2W—H2W1···O8Wii0.84 (2)2.06 (3)2.828 (3)152 (2)
O2W—H2W2···O120.86 (2)1.70 (2)2.550 (2)174 (2)
O3W—H3W1···O110.85 (2)1.78 (2)2.618 (2)172 (3)
O3W—H3W2···O7i0.84 (2)1.69 (2)2.536 (2)176 (2)
O4W—H4W1···O50.85 (2)1.72 (2)2.567 (2)178 (2)
O4W—H4W2···O11W0.84 (2)1.89 (3)2.715 (3)169 (3)
O5W—H5W1···O13W0.84 (2)1.87 (3)2.678 (2)161 (3)
O5W—H5W2···O8i0.85 (3)1.77 (3)2.617 (2)174 (3)
O6W—H6W1···O1i0.85 (2)1.73 (2)2.576 (2)175 (3)
O6W—H6W2···O12W0.85 (2)1.84 (2)2.680 (2)175 (3)
O7W—H7W1···O14Wiii0.86 (2)1.99 (3)2.830 (3)167 (3)
O7W—H7W2···O80.86 (2)2.46 (3)3.004 (3)122 (3)
O7W—H7W2···O90.86 (2)2.51 (2)3.093 (2)126 (2)
O8W—H8W1···O11iv0.84 (3)2.12 (3)2.901 (3)155 (3)
O8W—H8W2···O12Wv0.84 (3)2.03 (3)2.868 (3)175 (4)
O9W—H9W1···O10W0.84 (2)2.21 (3)3.049 (3)169 (3)
O9W—H9W2···O13Wvi0.85 (3)2.13 (3)2.982 (3)174 (3)
O10W—H20A···O40.85 (2)2.43 (3)3.152 (3)143 (2)
O10W—H20A···O50.85 (2)2.43 (3)3.189 (3)148 (3)
O10W—H20B···O120.85 (2)2.27 (3)3.052 (3)154 (3)
O10W—H20B···O100.85 (2)2.43 (3)3.117 (3)138 (2)
O11W—H21A···O10Wvii0.84 (2)2.14 (3)2.939 (3)159 (3)
O11W—H21B···O7Wvii0.85 (2)1.94 (3)2.788 (3)175 (4)
O12W—H22A···O12vii0.84 (2)2.12 (3)2.883 (3)151 (3)
O12W—H22B···O7iv0.85 (2)1.86 (3)2.696 (2)166 (3)
O13W—H23A···O2iii0.86 (3)1.98 (1)2.818 (2)168 (3)
O13W—H23B···O14Wviii0.86 (6)1.95 (3)2.795 (3)171 (3)
O14W—H24A···O60.85 (3)1.94 (3)2.768 (3)166 (3)
O14W—H24B···O5ix0.84 (3)2.09 (3)2.880 (3)157 (3)
Symmetry codes: (i) x+1, y1, z; (ii) x, y1, z; (iii) x, y+1, z+1; (iv) x, y+1, z; (v) x1, y+1, z; (vi) x, y+1, z; (vii) x+1, y, z; (viii) x+1, y, z+1; (ix) x+1, y+1, z+1.
 

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