The title compound, [Ni
II(H
2O)
6][Ni
II(C
4H
4O
4S)
2]·4H
2O, consists of [Ni
II(H
2O)
6]
2+ complex dications, [Ni
II(C
4H
4O
4S)
2]
2− complex dianions and non-coordinated water molecules. In the complex dianion, two thiodiacetate dianions coordinate to the Ni
II ion in a
fac-SO
2-tridentate chelating mode, resulting in a distorted octahedral
trans-NiO
4S
2 coordination geometry. The crystal structure is stabilized by an extensive O—H
O hydrogen-bonding network.
Supporting information
CCDC reference: 277263
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.004 Å
- Disorder in solvent or counterion
- R factor = 0.021
- wR factor = 0.061
- Data-to-parameter ratio = 17.5
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 96 PerFit
PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 96 PerFit
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 8.00 Perc.
PLAT417_ALERT_2_C Short Inter D-H..H-D H1B .. H3B .. 2.13 Ang.
PLAT417_ALERT_2_C Short Inter D-H..H-D H2A .. H4A .. 2.14 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 27.50
From the CIF: _reflns_number_total 4886
Count of symmetry unique reflns 2548
Completeness (_total/calc) 191.76%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 2338
Fraction of Friedel pairs measured 0.918
Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem
2 ALERT level B = Potentially serious problem
5 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
4 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
Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 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).
Hexaaquanickel(II) bis(thiodiacetato-
κ3O,
S,
O')nickel(II)
tetrahydrate
top
Crystal data top
[Ni(H2O)6][Ni(C4H4O4S)2]·4H2O | F(000) = 1232 |
Mr = 593.84 | Dx = 1.774 Mg m−3 |
Monoclinic, Cc | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: C -2yc | Cell parameters from 9212 reflections |
a = 18.8369 (5) Å | θ = 1.9–27.5° |
b = 13.4729 (3) Å | µ = 1.96 mm−1 |
c = 8.9472 (2) Å | T = 295 K |
β = 101.639 (8)° | Block, green |
V = 2224.00 (11) Å3 | 0.46 × 0.40 × 0.31 mm |
Z = 4 | |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 4886 independent reflections |
Radiation source: fine-focus sealed tube | 4779 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.018 |
Detector resolution: 10.0 pixels mm-1 | θmax = 27.5°, θmin = 1.9° |
ω scans | h = −24→24 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −17→17 |
Tmin = 0.408, Tmax = 0.543 | l = −11→11 |
10303 measured reflections | |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.021 | H-atom parameters constrained |
wR(F2) = 0.061 | w = 1/[σ2(Fo2) + (0.0445P)2 + 0.5706P] where P = (Fo2 + 2Fc2)/3 |
S = 1.07 | (Δ/σ)max = 0.004 |
4886 reflections | Δρmax = 0.24 e Å−3 |
280 parameters | Δρmin = −0.52 e Å−3 |
2 restraints | Absolute structure: Flack (1983), 2338 Friedel Pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.135 (8) |
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 | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ni1 | 0.491615 (16) | 0.239049 (19) | 0.10055 (3) | 0.02244 (7) | |
Ni2 | 0.235514 (16) | 0.194970 (19) | 0.35362 (3) | 0.02473 (7) | |
S1 | 0.47671 (3) | 0.07430 (4) | 0.19731 (6) | 0.02698 (11) | |
S2 | 0.50126 (3) | 0.40259 (4) | −0.00355 (6) | 0.02577 (11) | |
O1 | 0.57489 (10) | 0.17600 (13) | 0.0206 (2) | 0.0346 (4) | |
O2 | 0.63325 (11) | 0.04398 (14) | −0.0376 (3) | 0.0428 (4) | |
O3 | 0.42167 (10) | 0.18858 (12) | −0.08625 (19) | 0.0336 (4) | |
O4 | 0.33469 (10) | 0.08514 (13) | −0.1925 (2) | 0.0335 (4) | |
O5 | 0.40915 (10) | 0.29921 (13) | 0.1875 (2) | 0.0356 (4) | |
O6 | 0.33747 (14) | 0.42673 (17) | 0.2120 (3) | 0.0656 (8) | |
O7 | 0.56421 (10) | 0.29103 (12) | 0.28429 (19) | 0.0317 (4) | |
O8 | 0.63729 (10) | 0.41001 (14) | 0.3946 (2) | 0.0363 (4) | |
O11 | 0.12579 (9) | 0.19655 (13) | 0.3310 (2) | 0.0337 (4) | |
H11A | 0.0983 | 0.2115 | 0.2326 | 0.050* | |
H11B | 0.1076 | 0.2353 | 0.4011 | 0.050* | |
O12 | 0.34692 (9) | 0.19063 (12) | 0.3851 (2) | 0.0311 (4) | |
H12A | 0.3625 | 0.2282 | 0.3149 | 0.050* | |
H12B | 0.3779 | 0.2112 | 0.4654 | 0.050* | |
O13 | 0.23120 (11) | 0.19806 (14) | 0.1210 (2) | 0.0375 (4) | |
H13A | 0.2269 | 0.2537 | 0.0805 | 0.050* | |
H13B | 0.2046 | 0.1636 | 0.0595 | 0.050* | |
O14 | 0.24000 (10) | 0.19638 (13) | 0.5889 (2) | 0.0355 (4) | |
H14A | 0.2699 | 0.1557 | 0.6454 | 0.050* | |
H14B | 0.2511 | 0.2556 | 0.6301 | 0.050* | |
O15 | 0.24030 (14) | 0.34690 (13) | 0.3615 (3) | 0.0502 (5) | |
H15A | 0.2690 | 0.3849 | 0.3238 | 0.050* | |
H15B | 0.2077 | 0.3880 | 0.3793 | 0.050* | |
O16 | 0.23399 (11) | 0.04640 (12) | 0.3492 (4) | 0.0482 (5) | |
H16A | 0.2690 | 0.0047 | 0.3406 | 0.050* | |
H16B | 0.2023 | 0.0050 | 0.3658 | 0.050* | |
O1W | 0.67651 (13) | 0.14693 (16) | 0.4203 (3) | 0.0528 (5) | |
H1A | 0.6317 | 0.1486 | 0.3948 | 0.050* | |
H1B | 0.6925 | 0.0922 | 0.4794 | 0.050* | |
O2W | 0.40052 (10) | 0.29162 (17) | 0.6510 (2) | 0.0433 (4) | |
H2A | 0.4155 | 0.2551 | 0.7331 | 0.050* | |
H2B | 0.3631 | 0.3138 | 0.6693 | 0.050* | |
O3W | 0.27803 (16) | 0.38074 (19) | 0.7383 (3) | 0.0699 (7) | |
H3A | 0.2836 | 0.4336 | 0.6977 | 0.050* | |
H3B | 0.2524 | 0.3942 | 0.8022 | 0.050* | |
O4WA | 0.0346 (2) | 0.2552 (4) | 0.0699 (4) | 0.0514 (9) | 0.64 |
O4WB | 0.0302 (4) | 0.1881 (8) | 0.0778 (7) | 0.059 (2) | 0.36 |
C1 | 0.58695 (13) | 0.08436 (18) | 0.0229 (3) | 0.0288 (4) | |
C2 | 0.54453 (14) | 0.01582 (18) | 0.1093 (3) | 0.0336 (5) | |
H2C | 0.5789 | −0.0180 | 0.1883 | 0.040* | |
H2D | 0.5208 | −0.0344 | 0.0389 | 0.040* | |
C3 | 0.39369 (14) | 0.05031 (19) | 0.0615 (3) | 0.0336 (5) | |
H3C | 0.3927 | −0.0192 | 0.0332 | 0.040* | |
H3D | 0.3532 | 0.0619 | 0.1113 | 0.040* | |
C4 | 0.38259 (12) | 0.11249 (17) | −0.0834 (3) | 0.0266 (4) | |
C5 | 0.38803 (14) | 0.38820 (19) | 0.1623 (3) | 0.0343 (5) | |
C6 | 0.42529 (15) | 0.4543 (2) | 0.0657 (4) | 0.0410 (6) | |
H6A | 0.4421 | 0.5132 | 0.1248 | 0.049* | |
H6B | 0.3894 | 0.4756 | −0.0220 | 0.049* | |
C7 | 0.57839 (15) | 0.4381 (2) | 0.1390 (3) | 0.0371 (6) | |
H7A | 0.6209 | 0.4359 | 0.0933 | 0.045* | |
H7B | 0.5718 | 0.5065 | 0.1673 | 0.045* | |
C8 | 0.59400 (11) | 0.37589 (16) | 0.2848 (3) | 0.0260 (4) | |
H4A | −0.0132 | 0.2299 | 0.0766 | 0.050* | |
H4B | 0.0430 | 0.2224 | −0.0039 | 0.050* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ni1 | 0.02538 (11) | 0.02138 (13) | 0.02099 (11) | −0.00519 (11) | 0.00569 (8) | −0.00098 (10) |
Ni2 | 0.02300 (11) | 0.02334 (13) | 0.02821 (12) | 0.00013 (11) | 0.00604 (9) | −0.00001 (11) |
S1 | 0.0319 (3) | 0.0286 (2) | 0.0204 (2) | −0.0056 (2) | 0.0050 (2) | 0.00309 (19) |
S2 | 0.0275 (2) | 0.0274 (2) | 0.0228 (2) | −0.0044 (2) | 0.00617 (19) | 0.00221 (19) |
O1 | 0.0388 (9) | 0.0278 (8) | 0.0425 (9) | −0.0005 (7) | 0.0209 (7) | 0.0031 (7) |
O2 | 0.0429 (10) | 0.0332 (9) | 0.0586 (12) | −0.0009 (8) | 0.0250 (9) | −0.0042 (8) |
O3 | 0.0421 (9) | 0.0317 (8) | 0.0242 (8) | −0.0141 (7) | 0.0003 (7) | 0.0046 (6) |
O4 | 0.0347 (8) | 0.0313 (8) | 0.0304 (9) | −0.0085 (7) | −0.0032 (7) | 0.0001 (7) |
O5 | 0.0379 (9) | 0.0297 (8) | 0.0452 (10) | −0.0009 (7) | 0.0231 (8) | 0.0060 (7) |
O6 | 0.0678 (15) | 0.0416 (11) | 0.107 (2) | 0.0098 (10) | 0.0636 (16) | 0.0104 (12) |
O7 | 0.0392 (9) | 0.0268 (7) | 0.0272 (8) | −0.0115 (7) | 0.0021 (7) | 0.0029 (6) |
O8 | 0.0389 (9) | 0.0348 (9) | 0.0313 (9) | −0.0137 (7) | −0.0017 (7) | 0.0003 (7) |
O11 | 0.0252 (8) | 0.0393 (10) | 0.0371 (10) | 0.0050 (6) | 0.0073 (7) | −0.0038 (7) |
O12 | 0.0248 (8) | 0.0345 (9) | 0.0339 (9) | −0.0037 (6) | 0.0055 (7) | 0.0020 (6) |
O13 | 0.0436 (10) | 0.0382 (10) | 0.0294 (9) | −0.0001 (8) | 0.0043 (8) | −0.0009 (7) |
O14 | 0.0372 (9) | 0.0406 (10) | 0.0280 (9) | 0.0004 (7) | 0.0050 (7) | 0.0034 (7) |
O15 | 0.0592 (11) | 0.0236 (8) | 0.0800 (13) | 0.0015 (9) | 0.0430 (10) | 0.0009 (10) |
O16 | 0.0290 (7) | 0.0193 (7) | 0.1001 (14) | −0.0011 (8) | 0.0220 (8) | −0.0001 (10) |
O1W | 0.0522 (12) | 0.0393 (11) | 0.0641 (14) | −0.0011 (9) | 0.0050 (10) | 0.0035 (9) |
O2W | 0.0416 (10) | 0.0575 (12) | 0.0301 (9) | −0.0051 (9) | 0.0056 (8) | 0.0097 (8) |
O3W | 0.095 (2) | 0.0489 (13) | 0.0726 (17) | 0.0076 (13) | 0.0335 (15) | −0.0114 (12) |
O4WA | 0.0427 (18) | 0.078 (3) | 0.0338 (17) | 0.004 (2) | 0.0082 (13) | −0.0131 (19) |
O4WB | 0.036 (3) | 0.110 (7) | 0.029 (3) | 0.014 (4) | 0.006 (2) | −0.001 (4) |
C1 | 0.0304 (10) | 0.0281 (10) | 0.0275 (11) | −0.0038 (9) | 0.0048 (9) | −0.0028 (8) |
C2 | 0.0424 (13) | 0.0254 (11) | 0.0344 (12) | −0.0007 (9) | 0.0114 (10) | 0.0022 (9) |
C3 | 0.0327 (11) | 0.0341 (12) | 0.0305 (12) | −0.0126 (10) | −0.0020 (9) | 0.0068 (9) |
C4 | 0.0282 (10) | 0.0255 (10) | 0.0264 (11) | −0.0029 (8) | 0.0065 (9) | 0.0016 (8) |
C5 | 0.0332 (12) | 0.0318 (12) | 0.0423 (14) | −0.0005 (10) | 0.0178 (11) | 0.0005 (10) |
C6 | 0.0393 (13) | 0.0318 (12) | 0.0573 (17) | 0.0054 (11) | 0.0226 (12) | 0.0117 (12) |
C7 | 0.0390 (13) | 0.0324 (12) | 0.0370 (13) | −0.0153 (10) | 0.0007 (11) | 0.0065 (10) |
C8 | 0.0249 (10) | 0.0275 (10) | 0.0251 (10) | −0.0041 (8) | 0.0041 (8) | −0.0010 (8) |
Geometric parameters (Å, º) top
Ni1—O1 | 2.0365 (18) | O14—H14A | 0.8710 |
Ni1—O3 | 2.0257 (17) | O14—H14B | 0.8864 |
Ni1—O5 | 2.0404 (18) | O15—H15A | 0.8603 |
Ni1—O7 | 2.0386 (17) | O15—H15B | 0.8656 |
Ni1—S1 | 2.4194 (6) | O16—H16A | 0.8813 |
Ni1—S2 | 2.4132 (6) | O16—H16B | 0.8519 |
Ni2—O11 | 2.0359 (17) | O1W—H1A | 0.8281 |
Ni2—O12 | 2.0611 (16) | O1W—H1B | 0.9221 |
Ni2—O13 | 2.0664 (19) | O2W—H2A | 0.8817 |
Ni2—O14 | 2.0899 (18) | O2W—H2B | 0.8123 |
Ni2—O15 | 2.0495 (18) | O3W—H3A | 0.8160 |
Ni2—O16 | 2.0022 (16) | O3W—H3B | 0.8385 |
S1—C3 | 1.805 (2) | O4WA—O4WB | 0.912 (9) |
S1—C2 | 1.811 (3) | O4WA—H4A | 0.976 (4) |
S2—C7 | 1.794 (3) | O4WA—H4B | 0.836 (4) |
S2—C6 | 1.809 (3) | O4WB—H4A | 0.991 (7) |
O1—C1 | 1.255 (3) | O4WB—H4B | 0.937 (8) |
O2—C1 | 1.241 (3) | C1—C2 | 1.529 (3) |
O3—C4 | 1.265 (3) | C2—H2C | 0.9700 |
O4—C4 | 1.244 (3) | C2—H2D | 0.9700 |
O5—C5 | 1.269 (3) | C3—C4 | 1.522 (3) |
O6—C5 | 1.243 (3) | C3—H3C | 0.9700 |
O7—C8 | 1.273 (3) | C3—H3D | 0.9700 |
O8—C8 | 1.232 (3) | C5—C6 | 1.509 (3) |
O11—H11A | 0.9491 | C6—H6A | 0.9700 |
O11—H11B | 0.9319 | C6—H6B | 0.9700 |
O12—H12A | 0.9004 | C7—C8 | 1.528 (3) |
O12—H12B | 0.8738 | C7—H7A | 0.9700 |
O13—H13A | 0.8302 | C7—H7B | 0.9700 |
O13—H13B | 0.8114 | | |
| | | |
O1—Ni1—O3 | 89.37 (8) | Ni2—O15—H15A | 127.4 |
O1—Ni1—O5 | 177.97 (9) | Ni2—O15—H15B | 128.1 |
O1—Ni1—O7 | 89.30 (8) | H15A—O15—H15B | 102.6 |
O1—Ni1—S1 | 84.05 (5) | Ni2—O16—H16A | 129.1 |
O1—Ni1—S2 | 97.00 (5) | Ni2—O16—H16B | 131.2 |
O3—Ni1—O5 | 91.69 (8) | H16A—O16—H16B | 99.3 |
O3—Ni1—O7 | 178.21 (8) | H1A—O1W—H1B | 112.0 |
O3—Ni1—S1 | 83.35 (5) | H2A—O2W—H2B | 100.5 |
O3—Ni1—S2 | 94.31 (5) | H3A—O3W—H3B | 105.0 |
O5—Ni1—O7 | 89.68 (8) | O4WB—O4WA—H4A | 63.2 (6) |
O5—Ni1—S1 | 94.35 (5) | O4WB—O4WA—H4B | 64.7 (5) |
O5—Ni1—S2 | 84.65 (5) | H4A—O4WA—H4B | 100.8 (4) |
O7—Ni1—S1 | 97.70 (5) | O4WA—O4WB—H4A | 61.6 (7) |
O7—Ni1—S2 | 84.67 (5) | O4WA—O4WB—H4B | 53.7 (6) |
S1—Ni1—S2 | 177.43 (2) | H4A—O4WB—H4B | 93.0 (7) |
O11—Ni2—O12 | 177.65 (8) | O2—C1—O1 | 124.4 (2) |
O11—Ni2—O15 | 91.70 (9) | O2—C1—C2 | 116.1 (2) |
O11—Ni2—O16 | 89.90 (8) | O1—C1—C2 | 119.4 (2) |
O11—Ni2—O13 | 93.85 (8) | C1—C2—S1 | 116.34 (17) |
O11—Ni2—O14 | 86.20 (8) | C1—C2—H2C | 108.2 |
O12—Ni2—O13 | 88.29 (8) | S1—C2—H2C | 108.2 |
O12—Ni2—O14 | 91.69 (7) | C1—C2—H2D | 108.2 |
O12—Ni2—O15 | 89.26 (9) | S1—C2—H2D | 108.2 |
O12—Ni2—O16 | 89.12 (8) | H2C—C2—H2D | 107.4 |
O13—Ni2—O14 | 178.32 (7) | C4—C3—S1 | 115.22 (16) |
O13—Ni2—O15 | 90.39 (10) | C4—C3—H3C | 108.5 |
O13—Ni2—O16 | 90.17 (10) | S1—C3—H3C | 108.5 |
O14—Ni2—O15 | 87.93 (9) | C4—C3—H3D | 108.5 |
O14—Ni2—O16 | 91.51 (10) | S1—C3—H3D | 108.5 |
O15—Ni2—O16 | 178.26 (11) | H3C—C3—H3D | 107.5 |
C3—S1—C2 | 102.75 (13) | O4—C4—O3 | 123.9 (2) |
C3—S1—Ni1 | 94.06 (8) | O4—C4—C3 | 117.3 (2) |
C2—S1—Ni1 | 95.77 (8) | O3—C4—C3 | 118.9 (2) |
C7—S2—C6 | 103.71 (15) | O6—C5—O5 | 124.5 (2) |
C7—S2—Ni1 | 94.71 (9) | O6—C5—C6 | 115.9 (2) |
C6—S2—Ni1 | 95.34 (8) | O5—C5—C6 | 119.6 (2) |
C1—O1—Ni1 | 123.67 (16) | C5—C6—S2 | 117.40 (19) |
C4—O3—Ni1 | 122.66 (15) | C5—C6—H6A | 108.0 |
C5—O5—Ni1 | 122.89 (16) | S2—C6—H6A | 108.0 |
C8—O7—Ni1 | 122.35 (15) | C5—C6—H6B | 108.0 |
Ni2—O11—H11A | 116.6 | S2—C6—H6B | 108.0 |
Ni2—O11—H11B | 116.3 | H6A—C6—H6B | 107.2 |
H11A—O11—H11B | 107.5 | C8—C7—S2 | 116.72 (16) |
Ni2—O12—H12A | 110.7 | C8—C7—H7A | 108.1 |
Ni2—O12—H12B | 126.5 | S2—C7—H7A | 108.1 |
H12A—O12—H12B | 98.0 | C8—C7—H7B | 108.1 |
Ni2—O13—H13A | 116.0 | S2—C7—H7B | 108.1 |
Ni2—O13—H13B | 124.4 | H7A—C7—H7B | 107.3 |
H13A—O13—H13B | 103.1 | O8—C8—O7 | 123.9 (2) |
Ni2—O14—H14A | 118.0 | O8—C8—C7 | 117.3 (2) |
Ni2—O14—H14B | 112.7 | O7—C8—C7 | 118.7 (2) |
H14A—O14—H14B | 104.7 | | |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1A···O7 | 0.83 | 2.40 | 2.947 (3) | 124 |
O1W—H1B···O2i | 0.92 | 2.14 | 2.747 (3) | 123 |
O2W—H2A···O3ii | 0.88 | 1.83 | 2.690 (3) | 164 |
O2W—H2B···O3W | 0.81 | 2.04 | 2.847 (4) | 172 |
O3W—H3A···O6iii | 0.82 | 2.13 | 2.854 (4) | 148 |
O3W—H3B···O1Wiv | 0.84 | 2.02 | 2.774 (4) | 150 |
O4WA—H4A···O2Wv | 0.98 | 1.90 | 2.836 (4) | 160 |
O4WA—H4B···O7v | 0.84 | 2.02 | 2.795 (4) | 153 |
O11—H11A···O4WA | 0.95 | 1.79 | 2.722 (4) | 167 |
O11—H11B···O1iv | 0.93 | 1.79 | 2.721 (3) | 172 |
O12—H12A···O5 | 0.90 | 1.84 | 2.734 (2) | 171 |
O12—H12B···O2W | 0.87 | 1.96 | 2.750 (3) | 150 |
O13—H13A···O1Wv | 0.83 | 2.05 | 2.811 (3) | 152 |
O13—H13B···O8v | 0.81 | 2.00 | 2.812 (3) | 175 |
O14—H14A···O4ii | 0.87 | 1.94 | 2.801 (3) | 167 |
O14—H14B···O3W | 0.89 | 1.96 | 2.843 (3) | 175 |
O15—H15A···O6 | 0.86 | 1.87 | 2.699 (4) | 161 |
O15—H15B···O2iv | 0.87 | 1.94 | 2.789 (3) | 165 |
O16—H16A···O4i | 0.88 | 1.80 | 2.677 (3) | 175 |
O16—H16B···O8vi | 0.85 | 1.83 | 2.675 (3) | 176 |
Symmetry codes: (i) x, −y, z+1/2; (ii) x, y, z+1; (iii) x, −y+1, z+1/2; (iv) x−1/2, −y+1/2, z+1/2; (v) x−1/2, −y+1/2, z−1/2; (vi) x−1/2, y−1/2, z. |