Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802011297/cm6011sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802011297/cm6011IIsup2.hkl |
CCDC reference: 189880
Data collection: DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998); cell refinement: DENZO and COLLECT; data reduction: DENZO and COLLECT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1999); software used to prepare material for publication: SHELXL97.
4Na+·C8H4O94−·5H2O | F(000) = 1744 |
Mr = 426.15 | Dx = 1.867 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 30.1575 (13) Å | Cell parameters from 10138 reflections |
b = 6.3341 (3) Å | θ = 2.9–33.7° |
c = 15.9844 (9) Å | µ = 0.27 mm−1 |
β = 96.772 (2)° | T = 150 K |
V = 3032.0 (3) Å3 | Plate, colourless |
Z = 8 | 0.10 × 0.05 × 0.02 mm |
Enraf-Nonius KappaCCD area-detector diffractometer | 3594 independent reflections |
Radiation source: Enraf-Nonius FR591 rotating anode | 2389 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.055 |
Detector resolution: 9.091 pixels mm-1 | θmax = 28.0°, θmin = 3.0° |
φ and ω scans | h = −39→39 |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | k = −7→8 |
Tmin = 0.940, Tmax = 0.976 | l = −20→17 |
12544 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.052 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.145 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.02 | w = 1/[σ2(Fo2) + (0.076P)2 + 0.1007P] where P = (Fo2 + 2Fc2)/3 |
3594 reflections | (Δ/σ)max = 0.001 |
265 parameters | Δρmax = 0.82 e Å−3 |
0 restraints | Δρmin = −0.34 e Å−3 |
Experimental. PLEASE NOTE cell_measurement_ fields are not relevant to area detector data, the entire data set is used to refine the cell, which is indexed from all observed reflections in a 10 degree phi range. |
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. Hydrogen atoms attached to carbon were placed on calculated positions and allowed to ride on the adjacent carbon atom during refinement. Isotropic displacement parameters were constrained to be 1.3 times the U(eq) of the adjacent carbon atom. Hydrogen atoms of the water molecules were located on a difference synthesis. Positional parameters were refined without constraint, this allowed H23B and H25A to refine to positions unreasonably close to O23 and O25 respectively (0.67 (3), 0.68 (3) Å). No attempt has been made to adjust these artificially. The isotropic displacement parameters of all the hydrogen atoms of water molecules were fixed at 0.025. The final difference synthesis showed a residual peak of 0.82 e/Å3. This feature lies over the furan ring, at 1.265 Å from O1 and 2.10 Å from Na1. This position is not chemically meaningful and is not consistent with disorder of the ring conformation. The biggest negative feature is -0.34 e/Å3 at 0.73 Å from Na1. 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. |
x | y | z | Uiso*/Ueq | ||
Na1 | 0.16280 (3) | 0.98237 (16) | 0.38398 (7) | 0.0240 (3) | |
Na2 | 0.23534 (3) | 0.52485 (16) | 0.44398 (7) | 0.0225 (3) | |
Na3 | 0.01097 (3) | 0.64696 (16) | 0.09366 (7) | 0.0238 (3) | |
Na4 | 0.11308 (3) | 0.45239 (16) | 0.40245 (7) | 0.0245 (3) | |
O1 | 0.11944 (6) | 0.8759 (3) | 0.75602 (12) | 0.0237 (4) | |
C2 | 0.09676 (9) | 1.0277 (4) | 0.70010 (17) | 0.0222 (6) | |
H2 | 0.0679 | 0.9681 | 0.6731 | 0.029* | |
C3 | 0.12797 (9) | 1.0723 (4) | 0.63325 (17) | 0.0234 (6) | |
H3 | 0.1463 | 1.1987 | 0.6523 | 0.030* | |
C4 | 0.16035 (9) | 0.8766 (4) | 0.63779 (17) | 0.0221 (6) | |
H4 | 0.1912 | 0.9236 | 0.6597 | 0.029* | |
C5 | 0.14187 (8) | 0.7367 (4) | 0.70409 (17) | 0.0221 (6) | |
H5 | 0.1198 | 0.6346 | 0.6753 | 0.029* | |
C6 | 0.08833 (9) | 1.2274 (4) | 0.74858 (17) | 0.0212 (6) | |
O7 | 0.06324 (6) | 1.3598 (3) | 0.71028 (12) | 0.0274 (5) | |
O8 | 0.10635 (6) | 1.2429 (3) | 0.82339 (12) | 0.0257 (4) | |
C9 | 0.10418 (9) | 1.1211 (4) | 0.54456 (18) | 0.0212 (6) | |
O10 | 0.06238 (6) | 1.1261 (3) | 0.53192 (12) | 0.0262 (5) | |
O11 | 0.12965 (6) | 1.1623 (3) | 0.48980 (11) | 0.0220 (4) | |
C12 | 0.16151 (8) | 0.7646 (4) | 0.55202 (16) | 0.0192 (6) | |
O13 | 0.12831 (6) | 0.6626 (3) | 0.52215 (12) | 0.0268 (5) | |
O14 | 0.19626 (6) | 0.7899 (3) | 0.51684 (12) | 0.0229 (4) | |
C15 | 0.17768 (8) | 0.6163 (4) | 0.75911 (17) | 0.0200 (6) | |
O16 | 0.18135 (6) | 0.6397 (3) | 0.83735 (12) | 0.0220 (4) | |
O17 | 0.20057 (6) | 0.4915 (3) | 0.71919 (12) | 0.0220 (4) | |
O21 | 0.21520 (7) | 0.7081 (3) | 0.05842 (13) | 0.0247 (4) | |
O22 | 0.03764 (6) | 0.4140 (3) | 0.34185 (13) | 0.0262 (5) | |
O23 | 0.02890 (7) | 0.9778 (3) | 0.37894 (15) | 0.0294 (5) | |
O24 | 0.03875 (7) | 0.6649 (3) | 0.53727 (14) | 0.0277 (5) | |
O25 | 0.22221 (7) | 0.8209 (4) | 0.33149 (14) | 0.0319 (5) | |
H21A | 0.1889 (11) | 0.745 (5) | 0.0349 (19) | 0.030* | |
H21B | 0.2097 (10) | 0.641 (5) | 0.098 (2) | 0.030* | |
H22A | 0.0288 (10) | 0.290 (5) | 0.3392 (19) | 0.030* | |
H22B | 0.0427 (10) | 0.452 (5) | 0.295 (2) | 0.030* | |
H23A | 0.0412 (10) | 1.039 (5) | 0.432 (2) | 0.030* | |
H23B | 0.0481 (12) | 0.941 (6) | 0.366 (2) | 0.030* | |
H24A | 0.0365 (11) | 0.781 (5) | 0.553 (2) | 0.030* | |
H24B | 0.0655 (11) | 0.670 (5) | 0.534 (2) | 0.030* | |
H25A | 0.2396 (11) | 0.877 (5) | 0.320 (2) | 0.030* | |
H25B | 0.2164 (10) | 0.721 (5) | 0.293 (2) | 0.030* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Na1 | 0.0259 (6) | 0.0254 (6) | 0.0207 (6) | 0.0011 (4) | 0.0032 (5) | −0.0026 (4) |
Na2 | 0.0219 (5) | 0.0212 (5) | 0.0245 (6) | −0.0017 (4) | 0.0035 (4) | −0.0031 (4) |
Na3 | 0.0226 (5) | 0.0227 (6) | 0.0260 (6) | −0.0013 (4) | 0.0017 (4) | −0.0018 (4) |
Na4 | 0.0249 (5) | 0.0214 (5) | 0.0270 (6) | 0.0028 (4) | 0.0028 (5) | 0.0048 (5) |
O1 | 0.0282 (10) | 0.0217 (10) | 0.0220 (10) | 0.0050 (8) | 0.0060 (8) | 0.0006 (8) |
C2 | 0.0227 (13) | 0.0222 (14) | 0.0215 (15) | 0.0023 (11) | 0.0024 (11) | 0.0015 (11) |
C3 | 0.0280 (14) | 0.0199 (13) | 0.0228 (15) | 0.0037 (12) | 0.0054 (12) | −0.0002 (11) |
C4 | 0.0232 (13) | 0.0202 (14) | 0.0233 (15) | 0.0032 (11) | 0.0050 (11) | 0.0012 (11) |
C5 | 0.0246 (13) | 0.0199 (13) | 0.0230 (15) | 0.0005 (11) | 0.0075 (11) | −0.0015 (11) |
C6 | 0.0225 (12) | 0.0194 (13) | 0.0224 (15) | −0.0015 (11) | 0.0057 (11) | −0.0022 (11) |
O7 | 0.0324 (10) | 0.0222 (10) | 0.0264 (11) | 0.0087 (9) | −0.0019 (9) | −0.0018 (8) |
O8 | 0.0293 (10) | 0.0232 (10) | 0.0233 (11) | 0.0048 (8) | −0.0022 (8) | −0.0060 (8) |
C9 | 0.0283 (14) | 0.0139 (12) | 0.0218 (15) | 0.0049 (11) | 0.0040 (12) | 0.0003 (11) |
O10 | 0.0231 (9) | 0.0291 (11) | 0.0271 (11) | 0.0058 (8) | 0.0053 (8) | 0.0007 (8) |
O11 | 0.0249 (9) | 0.0212 (9) | 0.0202 (10) | 0.0011 (8) | 0.0042 (8) | 0.0021 (8) |
C12 | 0.0241 (13) | 0.0120 (12) | 0.0213 (14) | 0.0041 (11) | 0.0021 (11) | 0.0024 (10) |
O13 | 0.0244 (10) | 0.0247 (10) | 0.0316 (12) | −0.0045 (8) | 0.0041 (9) | −0.0046 (8) |
O14 | 0.0217 (9) | 0.0214 (10) | 0.0268 (11) | 0.0000 (8) | 0.0077 (8) | −0.0021 (8) |
C15 | 0.0234 (13) | 0.0168 (13) | 0.0201 (15) | 0.0026 (11) | 0.0037 (11) | 0.0033 (11) |
O16 | 0.0247 (9) | 0.0213 (10) | 0.0199 (11) | 0.0029 (8) | 0.0026 (8) | 0.0004 (8) |
O17 | 0.0259 (9) | 0.0188 (9) | 0.0219 (10) | 0.0049 (8) | 0.0045 (8) | 0.0015 (8) |
O21 | 0.0256 (10) | 0.0243 (10) | 0.0247 (12) | 0.0023 (8) | 0.0052 (9) | 0.0044 (8) |
O22 | 0.0281 (10) | 0.0219 (10) | 0.0294 (12) | −0.0021 (9) | 0.0075 (9) | 0.0061 (9) |
O23 | 0.0320 (11) | 0.0267 (11) | 0.0305 (13) | −0.0006 (9) | 0.0081 (10) | 0.0006 (9) |
O24 | 0.0223 (9) | 0.0233 (10) | 0.0372 (13) | −0.0016 (9) | 0.0025 (9) | 0.0020 (9) |
O25 | 0.0293 (11) | 0.0330 (12) | 0.0358 (13) | −0.0115 (9) | 0.0135 (10) | −0.0143 (10) |
Na1—O25 | 2.305 (2) | C5—C15 | 1.516 (4) |
Na1—O8i | 2.342 (2) | C5—H5 | 1.0000 |
Na1—O11 | 2.357 (2) | C6—O7 | 1.242 (3) |
Na1—O1i | 2.463 (2) | C6—O8 | 1.258 (3) |
Na1—O14 | 2.551 (2) | O7—Na3viii | 2.295 (2) |
Na1—O16i | 2.588 (2) | O8—Na4viii | 2.303 (2) |
Na2—O14ii | 2.391 (2) | O8—Na1viii | 2.342 (2) |
Na2—O14 | 2.426 (2) | C9—O10 | 1.254 (3) |
Na2—O16iii | 2.447 (2) | C9—O11 | 1.258 (3) |
Na2—O21iv | 2.481 (2) | O10—Na3viii | 2.409 (2) |
Na2—O21v | 2.503 (2) | O11—Na4ix | 2.326 (2) |
Na2—O25 | 2.596 (3) | C12—O13 | 1.239 (3) |
Na3—O7i | 2.295 (2) | C12—O14 | 1.257 (3) |
Na3—O24iii | 2.365 (2) | O14—Na2ii | 2.391 (2) |
Na3—O22vi | 2.397 (2) | C15—O16 | 1.251 (3) |
Na3—O10i | 2.409 (2) | C15—O17 | 1.270 (3) |
Na3—O24vi | 2.429 (2) | O16—Na2iv | 2.447 (2) |
Na3—O23vi | 2.480 (2) | O16—Na4iv | 2.483 (2) |
Na4—O8i | 2.303 (2) | O16—Na1viii | 2.588 (2) |
Na4—O11vii | 2.326 (2) | O21—Na2iii | 2.481 (2) |
Na4—O13 | 2.332 (2) | O21—Na2x | 2.503 (2) |
Na4—O22 | 2.378 (2) | O21—H21A | 0.87 (3) |
Na4—O16iii | 2.483 (2) | O21—H21B | 0.79 (3) |
O1—C2 | 1.430 (3) | O22—Na3vi | 2.397 (2) |
O1—C5 | 1.434 (3) | O22—H22A | 0.83 (3) |
O1—Na1viii | 2.463 (2) | O22—H22B | 0.82 (3) |
C2—C6 | 1.521 (4) | O23—Na3vi | 2.480 (2) |
C2—C3 | 1.531 (4) | O23—H23A | 0.96 (4) |
C2—H2 | 1.0000 | O23—H23B | 0.68 (3) |
C3—C9 | 1.543 (4) | O24—Na3iv | 2.365 (2) |
C3—C4 | 1.574 (4) | O24—Na3vi | 2.429 (2) |
C3—H3 | 1.0000 | O24—H24A | 0.78 (3) |
C4—C5 | 1.536 (4) | O24—H24B | 0.81 (3) |
C4—C12 | 1.548 (4) | O25—H25A | 0.67 (3) |
C4—H4 | 1.0000 | O25—H25B | 0.88 (4) |
O25—Na1—O8i | 97.89 (8) | C5—C4—H4 | 109.2 |
O25—Na1—O11 | 152.77 (9) | C12—C4—H4 | 109.2 |
O8i—Na1—O11 | 104.02 (7) | C3—C4—H4 | 109.2 |
O25—Na1—O1i | 102.63 (8) | O1—C5—C15 | 109.0 (2) |
O8i—Na1—O1i | 65.78 (7) | O1—C5—C4 | 106.2 (2) |
O11—Na1—O1i | 101.02 (7) | C15—C5—C4 | 113.5 (2) |
O25—Na1—O14 | 80.96 (8) | O1—C5—H5 | 109.3 |
O8i—Na1—O14 | 104.47 (7) | C15—C5—H5 | 109.3 |
O11—Na1—O14 | 78.07 (7) | C4—C5—H5 | 109.3 |
O1i—Na1—O14 | 169.85 (8) | O7—C6—O8 | 125.9 (2) |
O25—Na1—O16i | 95.85 (8) | O7—C6—C2 | 116.1 (2) |
O8i—Na1—O16i | 128.01 (8) | O8—C6—C2 | 118.0 (2) |
O11—Na1—O16i | 83.33 (7) | C6—O7—Na3viii | 135.08 (18) |
O1i—Na1—O16i | 62.32 (6) | C6—O8—Na4viii | 125.98 (17) |
O14—Na1—O16i | 127.16 (7) | C6—O8—Na1viii | 123.86 (17) |
O14ii—Na2—O14 | 89.28 (7) | Na4viii—O8—Na1viii | 105.73 (8) |
O14ii—Na2—O16iii | 150.92 (7) | O10—C9—O11 | 124.6 (3) |
O14—Na2—O16iii | 107.94 (7) | O10—C9—C3 | 120.2 (2) |
O14ii—Na2—O21iv | 112.17 (8) | O11—C9—C3 | 115.2 (2) |
O14—Na2—O21iv | 83.25 (7) | C9—O10—Na3viii | 129.23 (18) |
O16iii—Na2—O21iv | 93.41 (7) | C9—O11—Na4ix | 118.40 (15) |
O14ii—Na2—O21v | 84.27 (7) | C9—O11—Na1 | 138.11 (16) |
O14—Na2—O21v | 152.37 (8) | Na4ix—O11—Na1 | 91.74 (7) |
O16iii—Na2—O21v | 89.81 (7) | O13—C12—O14 | 124.9 (2) |
O21iv—Na2—O21v | 74.50 (8) | O13—C12—C4 | 118.6 (2) |
O14ii—Na2—O25 | 83.31 (7) | O14—C12—C4 | 116.4 (2) |
O14—Na2—O25 | 77.85 (7) | O13—C12—Na1 | 89.43 (16) |
O16iii—Na2—O25 | 77.91 (7) | O14—C12—Na1 | 56.33 (13) |
O21iv—Na2—O25 | 155.47 (8) | C4—C12—Na1 | 125.56 (16) |
O21v—Na2—O25 | 127.66 (7) | C12—O13—Na4 | 133.31 (17) |
O7i—Na3—O24iii | 93.08 (8) | C12—O14—Na2ii | 133.19 (18) |
O7i—Na3—O22vi | 92.03 (8) | C12—O14—Na2 | 127.18 (16) |
O24iii—Na3—O22vi | 84.94 (8) | Na2ii—O14—Na2 | 90.72 (7) |
O7i—Na3—O10i | 86.01 (7) | C12—O14—Na1 | 99.47 (15) |
O24iii—Na3—O10i | 93.92 (8) | Na2ii—O14—Na1 | 103.17 (7) |
O22vi—Na3—O10i | 177.68 (8) | Na2—O14—Na1 | 95.62 (7) |
O7i—Na3—O24vi | 174.60 (8) | O16—C15—O17 | 125.9 (2) |
O24iii—Na3—O24vi | 85.48 (8) | O16—C15—C5 | 119.6 (2) |
O22vi—Na3—O24vi | 93.02 (8) | O17—C15—C5 | 114.5 (2) |
O10i—Na3—O24vi | 88.90 (8) | C15—O16—Na2iv | 128.23 (15) |
O7i—Na3—O23vi | 99.97 (8) | C15—O16—Na4iv | 114.27 (16) |
O24iii—Na3—O23vi | 166.82 (9) | Na2iv—O16—Na4iv | 97.15 (7) |
O22vi—Na3—O23vi | 96.34 (8) | C15—O16—Na1viii | 113.63 (15) |
O10i—Na3—O23vi | 85.23 (7) | Na2iv—O16—Na1viii | 110.00 (8) |
O24vi—Na3—O23vi | 81.36 (8) | Na4iv—O16—Na1viii | 83.03 (6) |
O8i—Na4—O11vii | 172.00 (8) | Na2iii—O21—Na2x | 105.50 (8) |
O8i—Na4—O13 | 88.15 (7) | Na2iii—O21—H21A | 98 (2) |
O11vii—Na4—O13 | 87.19 (8) | Na2x—O21—H21A | 107 (2) |
O8i—Na4—O22 | 81.02 (8) | Na2iii—O21—H21B | 111 (2) |
O11vii—Na4—O22 | 106.93 (8) | Na2x—O21—H21B | 128 (2) |
O13—Na4—O22 | 118.62 (8) | H21A—O21—H21B | 103 (3) |
O8i—Na4—O16iii | 89.47 (7) | Na4—O22—Na3vi | 111.48 (9) |
O11vii—Na4—O16iii | 86.32 (7) | Na4—O22—H22A | 114 (2) |
O13—Na4—O16iii | 112.66 (7) | Na3vi—O22—H22A | 113 (2) |
O22—Na4—O16iii | 127.30 (8) | Na4—O22—H22B | 94 (2) |
C2—O1—C5 | 105.96 (19) | Na3vi—O22—H22B | 114 (2) |
C2—O1—Na1viii | 116.22 (15) | H22A—O22—H22B | 109 (3) |
C5—O1—Na1viii | 117.66 (15) | Na3vi—O23—H23A | 109.3 (18) |
O1—C2—C6 | 109.7 (2) | Na3vi—O23—H23B | 102 (3) |
O1—C2—C3 | 105.8 (2) | H23A—O23—H23B | 98 (3) |
C6—C2—C3 | 110.8 (2) | Na3iv—O24—Na3vi | 94.52 (8) |
O1—C2—H2 | 110.1 | Na3iv—O24—H24A | 128 (2) |
C6—C2—H2 | 110.1 | Na3vi—O24—H24A | 104 (2) |
C3—C2—H2 | 110.1 | Na3iv—O24—H24B | 117 (2) |
C2—C3—C9 | 114.9 (2) | Na3vi—O24—H24B | 118 (2) |
C2—C3—C4 | 104.6 (2) | H24A—O24—H24B | 96 (3) |
C9—C3—C4 | 114.8 (2) | Na1—O25—Na2 | 97.47 (8) |
C2—C3—H3 | 107.4 | Na1—O25—H25A | 122 (3) |
C9—C3—H3 | 107.4 | Na2—O25—H25A | 120 (3) |
C4—C3—H3 | 107.4 | Na1—O25—H25B | 118.1 (19) |
C5—C4—C12 | 113.2 (2) | Na2—O25—H25B | 88 (2) |
C5—C4—C3 | 102.3 (2) | H25A—O25—H25B | 107 (3) |
C12—C4—C3 | 113.5 (2) | ||
O1—C2—C3—C4 | 20.1 (3) | C12—C4—C5—C15 | 92.5 (3) |
C2—C3—C4—C5 | 3.0 (3) | O7—C6—C2—C3 | 73.7 (3) |
C3—C4—C5—O1 | −25.2 (3) | O17—C15—C5—C4 | −60.1 (3) |
C4—C5—O1—C2 | 39.7 (3) | O10—C9—C3—C2 | 1.3 (3) |
C6—C2—C3—C9 | −94.3 (3) | O13—C12—C4—C5 | 45.4 (3) |
C9—C3—C4—C12 | −1.5 (3) |
Symmetry codes: (i) x, −y+2, z−1/2; (ii) −x+1/2, −y+3/2, −z+1; (iii) x, −y+1, z−1/2; (iv) x, −y+1, z+1/2; (v) −x+1/2, y−1/2, −z+1/2; (vi) −x, y, −z+1/2; (vii) x, y−1, z; (viii) x, −y+2, z+1/2; (ix) x, y+1, z; (x) −x+1/2, y+1/2, −z+1/2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O21—H21A···O11i | 0.87 (3) | 1.94 (3) | 2.805 (3) | 176 (3) |
O21—H21B···O17iii | 0.79 (3) | 2.16 (3) | 2.943 (3) | 169 (3) |
O22—H22A···O23vii | 0.83 (3) | 2.08 (3) | 2.845 (3) | 154 (3) |
O22—H22B···O7i | 0.82 (3) | 1.96 (3) | 2.730 (3) | 157 (3) |
O23—H23A···O10 | 0.96 (4) | 1.74 (4) | 2.702 (3) | 174 (3) |
O23—H23B···O8i | 0.68 (3) | 2.28 (4) | 2.948 (3) | 169 (4) |
O24—H24A···O10 | 0.78 (3) | 2.36 (3) | 3.010 (3) | 142 (3) |
O24—H24B···O13 | 0.81 (3) | 1.93 (3) | 2.740 (3) | 176 (3) |
O25—H25A···O17ii | 0.67 (3) | 2.15 (3) | 2.817 (3) | 171 (4) |
O25—H25B···O17iii | 0.88 (4) | 1.82 (4) | 2.699 (3) | 175 (3) |
Symmetry codes: (i) x, −y+2, z−1/2; (ii) −x+1/2, −y+3/2, −z+1; (iii) x, −y+1, z−1/2; (vii) x, y−1, z. |