| Literature DB >> 22065711 |
Kina van Merwe1, Hendrik G Visser, Johan A Venter.
Abstract
The asymmetric unit of the title compound, Cs(2)[Co(CH(4)O(6)P(2))(2)(H(2)O)(2)], is comprised of one bidentate methyl-enediphospho-nate ligand and one water mol-ecule which are coordinated to the Co(II) atom, as well as a caesium counter-cation. The Co atom occupies a special position on a crystallographic inversion center. The caesium ion is octa-hedrally coordinated by six O atoms with Cs-O distances ranging from 3.119 (2) to 3.296 (2) Å. A three-dimensional network is formed through O-H⋯O hydrogen bonds.Entities:
Year: 2011 PMID: 22065711 PMCID: PMC3201400 DOI: 10.1107/S1600536811035355
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| Cs2[Co(CH4O6P2)2(H2O)2] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 3160 reflections | |
| θ = 2.8–28.4° | |
| µ = 5.96 mm−1 | |
| α = 74.621 (5)° | |
| β = 83.064 (5)° | Needle, pink |
| γ = 86.496 (5)° | 0.38 × 0.07 × 0.05 mm |
| Bruker APEXII CCD diffractometer | 1827 reflections with |
| φ and ω scans | |
| Absorption correction: multi-scan ( | θmax = 28°, θmin = 3.7° |
| 4203 measured reflections | |
| 1904 independent reflections |
| Refinement on | 11 restraints |
| Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
| (Δ/σ)max = 0.002 | |
| Δρmax = 0.47 e Å−3 | |
| 1904 reflections | Δρmin = −0.48 e Å−3 |
| 132 parameters |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Occ. (<1) | |||||
| Cs1 | 0.284577 (17) | 0.954858 (18) | 0.692901 (17) | 0.00965 (6) | |
| Co1 | 0.5 | 0.5 | 0.5 | 0.00595 (9) | |
| P1 | 0.26392 (7) | 0.34252 (8) | 0.22866 (8) | 0.00590 (11) | |
| P2 | 0.19616 (7) | 0.74778 (8) | 0.25147 (8) | 0.00589 (11) | |
| O1 | 0.2886 (2) | 0.4437 (2) | 0.7201 (2) | 0.0112 (3) | |
| O2 | 0.3857 (2) | 0.3210 (2) | 0.3786 (2) | 0.0088 (3) | |
| O3 | 0.0667 (2) | 0.2706 (2) | 0.3122 (2) | 0.0086 (3) | |
| O4 | 0.3336 (2) | 0.2396 (2) | 0.0861 (2) | 0.0086 (3) | |
| O5 | 0.1822 (2) | 0.9384 (2) | 0.1036 (2) | 0.0109 (3) | |
| O6 | 0.0107 (2) | 0.7058 (2) | 0.3621 (2) | 0.0102 (3) | |
| O7 | 0.3541 (2) | 0.7427 (2) | 0.3623 (2) | 0.0086 (3) | |
| C1 | 0.2397 (3) | 0.5858 (3) | 0.1121 (3) | 0.0071 (4) | |
| H1A | 0.313 (4) | 0.383 (4) | 0.837 (3) | 0.023 (9)* | |
| H1B | 0.185 (4) | 0.410 (6) | 0.704 (6) | 0.063 (15)* | |
| H2 | 0.048 (5) | 0.287 (5) | 0.417 (3) | 0.035 (10)* | |
| H3 | 0.145 (3) | 0.599 (4) | 0.033 (4) | 0.018 (8)* | |
| H4 | 0.357 (3) | 0.616 (4) | 0.046 (4) | 0.015 (8)* | |
| H5A | 0.156 (9) | 0.935 (9) | 0.002 (5) | 0.022* | 0.5 |
| H5B | 0.239 (8) | 1.030 (7) | 0.116 (9) | 0.022* | 0.5 |
| Cs1 | 0.01010 (9) | 0.00910 (9) | 0.00854 (9) | 0.00056 (5) | −0.00040 (5) | −0.00068 (6) |
| Co1 | 0.00540 (19) | 0.00593 (19) | 0.0067 (2) | −0.00035 (15) | −0.00109 (15) | −0.00174 (16) |
| P1 | 0.0061 (2) | 0.0053 (2) | 0.0063 (3) | −0.00119 (19) | −0.0007 (2) | −0.0015 (2) |
| P2 | 0.0060 (2) | 0.0060 (3) | 0.0057 (3) | −0.00059 (19) | −0.0006 (2) | −0.0014 (2) |
| O1 | 0.0084 (8) | 0.0160 (9) | 0.0088 (8) | −0.0027 (7) | −0.0002 (6) | −0.0019 (7) |
| O2 | 0.0097 (7) | 0.0077 (7) | 0.0092 (8) | −0.0008 (6) | −0.0028 (6) | −0.0015 (6) |
| O3 | 0.0076 (7) | 0.0110 (8) | 0.0077 (8) | −0.0033 (6) | 0.0007 (6) | −0.0032 (6) |
| O4 | 0.0098 (7) | 0.0072 (7) | 0.0096 (8) | −0.0012 (6) | 0.0008 (6) | −0.0040 (6) |
| O5 | 0.0173 (8) | 0.0063 (7) | 0.0093 (8) | −0.0012 (6) | −0.0063 (7) | −0.0002 (6) |
| O6 | 0.0072 (7) | 0.0139 (8) | 0.0096 (8) | −0.0017 (6) | 0.0012 (6) | −0.0040 (6) |
| O7 | 0.0096 (7) | 0.0067 (7) | 0.0098 (8) | −0.0003 (6) | −0.0032 (6) | −0.0016 (6) |
| C1 | 0.0087 (9) | 0.0066 (10) | 0.0056 (10) | −0.0009 (8) | −0.0011 (8) | −0.0005 (8) |
| Cs1—O5i | 3.119 (3) | P2—O6 | 1.5158 (18) |
| Cs1—O3ii | 3.165 (2) | P2—O5 | 1.5663 (19) |
| Cs1—O2iii | 3.162 (2) | P2—C1 | 1.799 (2) |
| Cs1—O2iv | 3.173 (2) | O1—H1A | 0.922 (17) |
| Cs1—O6v | 3.192 (2) | O1—H1B | 0.846 (19) |
| Cs1—O4iii | 3.485 (2) | O2—Cs1iii | 3.162 (2) |
| Cs1—O7vi | 3.490 (2) | O2—Cs1vii | 3.173 (2) |
| Co1—O2iii | 2.0761 (18) | O3—Cs1ii | 3.165 (2) |
| Co1—O2 | 2.0761 (18) | O3—H2 | 0.840 (19) |
| Co1—O1iii | 2.1209 (19) | O4—Cs1iii | 3.485 (2) |
| Co1—O1 | 2.1209 (19) | O5—Cs1viii | 3.119 (3) |
| Co1—O7iii | 2.1272 (19) | O5—H5A | 0.83 (2) |
| Co1—O7 | 2.1272 (19) | O5—H5B | 0.85 (2) |
| P1—O2 | 1.5087 (18) | O6—Cs1v | 3.192 (2) |
| P1—O4 | 1.5158 (18) | O7—Cs1vi | 3.490 (2) |
| P1—O3 | 1.5732 (18) | C1—H3 | 0.963 (14) |
| P1—C1 | 1.796 (3) | C1—H4 | 0.951 (14) |
| P2—O7 | 1.5099 (18) | ||
| O5i—Cs1—O3ii | 91.51 (5) | O7—Co1—Cs1iii | 128.78 (6) |
| O5i—Cs1—O2iii | 113.53 (4) | O2iii—Co1—Cs1vi | 45.80 (6) |
| O3ii—Cs1—O2iii | 103.25 (7) | O2—Co1—Cs1vi | 134.20 (6) |
| O5i—Cs1—O2iv | 125.59 (5) | O1iii—Co1—Cs1vi | 60.18 (5) |
| O3ii—Cs1—O2iv | 120.31 (5) | O1—Co1—Cs1vi | 119.82 (5) |
| O2iii—Cs1—O2iv | 101.31 (5) | O7iii—Co1—Cs1vi | 125.13 (6) |
| O5i—Cs1—O6v | 82.95 (5) | O7—Co1—Cs1vi | 54.87 (6) |
| O3ii—Cs1—O6v | 81.36 (7) | Cs1iii—Co1—Cs1vi | 123.10 (4) |
| O2iii—Cs1—O6v | 162.47 (4) | O2iii—Co1—Cs1vii | 134.20 (6) |
| O2iv—Cs1—O6v | 62.52 (5) | O2—Co1—Cs1vii | 45.80 (6) |
| O5i—Cs1—O4iii | 73.40 (5) | O1iii—Co1—Cs1vii | 119.82 (5) |
| O3ii—Cs1—O4iii | 124.24 (6) | O1—Co1—Cs1vii | 60.18 (5) |
| O2iii—Cs1—O4iii | 44.75 (5) | O7iii—Co1—Cs1vii | 54.87 (6) |
| O2iv—Cs1—O4iii | 111.44 (5) | O7—Co1—Cs1vii | 125.13 (6) |
| O6v—Cs1—O4iii | 144.68 (4) | Cs1iii—Co1—Cs1vii | 56.90 (4) |
| O5i—Cs1—O7vi | 94.14 (4) | Cs1vi—Co1—Cs1vii | 180 |
| O3ii—Cs1—O7vi | 170.61 (4) | O2—P1—O4 | 114.76 (10) |
| O2iii—Cs1—O7vi | 81.34 (7) | O2—P1—O3 | 109.86 (10) |
| O2iv—Cs1—O7vi | 50.37 (5) | O4—P1—O3 | 107.73 (9) |
| O6v—Cs1—O7vi | 91.89 (7) | O2—P1—C1 | 109.55 (10) |
| O4iii—Cs1—O7vi | 64.74 (6) | O4—P1—C1 | 107.05 (11) |
| O5i—Cs1—C1i | 44.75 (6) | O3—P1—C1 | 107.62 (10) |
| O3ii—Cs1—C1i | 72.92 (5) | O2—P1—Cs1iii | 51.16 (7) |
| O2iii—Cs1—C1i | 78.47 (6) | O4—P1—Cs1iii | 63.66 (7) |
| O2iv—Cs1—C1i | 165.97 (5) | O3—P1—Cs1iii | 124.40 (8) |
| O6v—Cs1—C1i | 118.91 (5) | C1—P1—Cs1iii | 127.77 (8) |
| O4iii—Cs1—C1i | 58.52 (5) | O2—P1—Cs1vii | 49.06 (7) |
| O7vi—Cs1—C1i | 116.25 (5) | O4—P1—Cs1vii | 103.57 (8) |
| O5i—Cs1—O1iv | 74.68 (4) | O3—P1—Cs1vii | 68.88 (7) |
| O3ii—Cs1—O1iv | 126.32 (5) | C1—P1—Cs1vii | 148.54 (8) |
| O2iii—Cs1—O1iv | 130.04 (5) | Cs1iii—P1—Cs1vii | 61.70 (2) |
| O2iv—Cs1—O1iv | 50.97 (5) | O7—P2—O6 | 114.83 (11) |
| O6v—Cs1—O1iv | 46.06 (5) | O7—P2—O5 | 111.69 (10) |
| O4iii—Cs1—O1iv | 101.41 (4) | O6—P2—O5 | 109.44 (10) |
| O7vi—Cs1—O1iv | 48.72 (4) | O7—P2—C1 | 110.57 (10) |
| C1i—Cs1—O1iv | 118.60 (6) | O6—P2—C1 | 108.09 (10) |
| O5i—Cs1—O3iv | 125.42 (5) | O5—P2—C1 | 101.32 (11) |
| O3ii—Cs1—O3iv | 78.65 (6) | O7—P2—Cs1v | 124.05 (8) |
| O2iii—Cs1—O3iv | 121.02 (5) | O5—P2—Cs1v | 65.52 (7) |
| O2iv—Cs1—O3iv | 42.33 (5) | C1—P2—Cs1v | 125.05 (8) |
| O6v—Cs1—O3iv | 42.63 (4) | O7—P2—Cs1viii | 118.54 (7) |
| O4iii—Cs1—O3iv | 152.49 (4) | O6—P2—Cs1viii | 125.77 (7) |
| O7vi—Cs1—O3iv | 91.97 (5) | C1—P2—Cs1viii | 61.03 (8) |
| C1i—Cs1—O3iv | 148.87 (5) | Cs1v—P2—Cs1viii | 94.916 (19) |
| O1iv—Cs1—O3iv | 69.55 (5) | Co1—O1—Cs1vii | 89.88 (6) |
| O5i—Cs1—O5v | 55.64 (5) | Co1—O1—H1A | 122 (2) |
| O3ii—Cs1—O5v | 56.50 (6) | Cs1vii—O1—H1A | 81 (2) |
| O2iii—Cs1—O5v | 153.15 (4) | Co1—O1—H1B | 120 (3) |
| O2iv—Cs1—O5v | 104.38 (5) | Cs1vii—O1—H1B | 66 (3) |
| O6v—Cs1—O5v | 41.87 (4) | H1A—O1—H1B | 108 (3) |
| O4iii—Cs1—O5v | 128.47 (5) | P1—O2—Co1 | 135.98 (10) |
| O7vi—Cs1—O5v | 121.54 (5) | P1—O2—Cs1iii | 107.03 (9) |
| C1i—Cs1—O5v | 78.50 (5) | Co1—O2—Cs1iii | 103.97 (7) |
| O1iv—Cs1—O5v | 73.92 (4) | P1—O2—Cs1vii | 109.88 (8) |
| O3iv—Cs1—O5v | 75.37 (5) | Co1—O2—Cs1vii | 106.22 (8) |
| O5i—Cs1—P1iii | 94.28 (4) | Cs1iii—O2—Cs1vii | 78.69 (5) |
| O3ii—Cs1—P1iii | 115.59 (6) | P1—O3—Cs1ii | 150.94 (9) |
| O2iii—Cs1—P1iii | 21.82 (3) | P1—O3—Cs1vii | 87.66 (8) |
| O2iv—Cs1—P1iii | 106.97 (4) | Cs1ii—O3—Cs1vii | 101.35 (6) |
| O6v—Cs1—P1iii | 162.96 (3) | P1—O3—H2 | 108 (3) |
| O4iii—Cs1—P1iii | 22.94 (3) | Cs1ii—O3—H2 | 101 (3) |
| O7vi—Cs1—P1iii | 71.49 (6) | Cs1vii—O3—H2 | 59 (3) |
| C1i—Cs1—P1iii | 67.80 (4) | P1—O4—Cs1iii | 93.39 (8) |
| O1iv—Cs1—P1iii | 116.98 (4) | P2—O5—Cs1viii | 120.07 (9) |
| O3iv—Cs1—P1iii | 138.50 (3) | P2—O5—Cs1v | 91.93 (8) |
| O5v—Cs1—P1iii | 145.78 (4) | Cs1viii—O5—Cs1v | 124.36 (5) |
| O2iii—Co1—O2 | 180 | P2—O5—H5A | 118 (5) |
| O2iii—Co1—O1iii | 90.76 (8) | Cs1v—O5—H5A | 99 (5) |
| O2—Co1—O1iii | 89.24 (8) | P2—O5—H5B | 117 (5) |
| O2iii—Co1—O1 | 89.24 (8) | Cs1viii—O5—H5B | 103 (5) |
| O2—Co1—O1 | 90.76 (8) | Cs1v—O5—H5B | 100 (5) |
| O1iii—Co1—O1 | 180 | H5A—O5—H5B | 121 (6) |
| O2iii—Co1—O7iii | 94.65 (8) | P2—O6—Cs1v | 115.52 (9) |
| O2—Co1—O7iii | 85.35 (8) | P2—O7—Co1 | 126.62 (10) |
| O1iii—Co1—O7iii | 91.47 (7) | P2—O7—Cs1vi | 131.62 (9) |
| O1—Co1—O7iii | 88.53 (7) | Co1—O7—Cs1vi | 95.23 (7) |
| O2iii—Co1—O7 | 85.35 (8) | P1—C1—P2 | 116.79 (13) |
| O2—Co1—O7 | 94.65 (8) | P1—C1—Cs1viii | 149.47 (11) |
| O1iii—Co1—O7 | 88.53 (7) | P2—C1—Cs1viii | 93.21 (10) |
| O1—Co1—O7 | 91.47 (7) | P1—C1—H3 | 108.1 (19) |
| O7iii—Co1—O7 | 180.00 (9) | P2—C1—H3 | 110.1 (19) |
| O2iii—Co1—Cs1iii | 132.78 (6) | Cs1viii—C1—H3 | 62.8 (19) |
| O2—Co1—Cs1iii | 47.22 (6) | P1—C1—H4 | 104.3 (19) |
| O1iii—Co1—Cs1iii | 63.15 (5) | P2—C1—H4 | 105.3 (19) |
| O1—Co1—Cs1iii | 116.85 (5) | Cs1viii—C1—H4 | 59.3 (18) |
| O7iii—Co1—Cs1iii | 51.22 (6) | H3—C1—H4 | 112 (3) |
| O2iii—Co1—O1—Cs1vii | −144.21 (6) | C1—P2—O5—Cs1viii | −8.70 (12) |
| O2—Co1—O1—Cs1vii | 35.79 (6) | Cs1v—P2—O5—Cs1viii | −132.22 (9) |
| O7iii—Co1—O1—Cs1vii | −49.55 (6) | O7—P2—O5—Cs1v | −118.75 (9) |
| O7—Co1—O1—Cs1vii | 130.45 (6) | O6—P2—O5—Cs1v | 9.54 (9) |
| Cs1iii—Co1—O1—Cs1vii | −5.22 (5) | C1—P2—O5—Cs1v | 123.53 (8) |
| Cs1vi—Co1—O1—Cs1vii | 180 | Cs1viii—P2—O5—Cs1v | 132.22 (9) |
| O4—P1—O2—Co1 | 130.04 (13) | O7—P2—O6—Cs1v | 114.18 (10) |
| O3—P1—O2—Co1 | −108.42 (14) | O5—P2—O6—Cs1v | −12.34 (11) |
| C1—P1—O2—Co1 | 9.60 (17) | C1—P2—O6—Cs1v | −121.88 (10) |
| Cs1iii—P1—O2—Co1 | 132.87 (17) | Cs1viii—P2—O6—Cs1v | −55.00 (10) |
| Cs1vii—P1—O2—Co1 | −143.29 (18) | O6—P2—O7—Co1 | 80.65 (14) |
| O4—P1—O2—Cs1iii | −2.83 (11) | O5—P2—O7—Co1 | −154.00 (11) |
| O3—P1—O2—Cs1iii | 118.71 (9) | C1—P2—O7—Co1 | −41.97 (15) |
| C1—P1—O2—Cs1iii | −123.27 (9) | Cs1v—P2—O7—Co1 | 131.64 (9) |
| Cs1vii—P1—O2—Cs1iii | 83.84 (8) | Cs1viii—P2—O7—Co1 | −109.34 (10) |
| O4—P1—O2—Cs1vii | −86.67 (11) | O6—P2—O7—Cs1vi | −135.06 (11) |
| O3—P1—O2—Cs1vii | 34.87 (11) | O5—P2—O7—Cs1vi | −9.70 (14) |
| C1—P1—O2—Cs1vii | 152.89 (9) | C1—P2—O7—Cs1vi | 102.32 (13) |
| Cs1iii—P1—O2—Cs1vii | −83.84 (8) | Cs1v—P2—O7—Cs1vi | −84.06 (12) |
| O1iii—Co1—O2—P1 | −80.87 (15) | Cs1viii—P2—O7—Cs1vi | 34.96 (13) |
| O1—Co1—O2—P1 | 99.13 (15) | O2iii—Co1—O7—P2 | −168.93 (12) |
| O7iii—Co1—O2—P1 | −172.41 (15) | O2—Co1—O7—P2 | 11.07 (12) |
| O7—Co1—O2—P1 | 7.59 (15) | O1iii—Co1—O7—P2 | 100.19 (13) |
| Cs1iii—Co1—O2—P1 | −133.77 (17) | O1—Co1—O7—P2 | −79.81 (13) |
| Cs1vi—Co1—O2—P1 | −35.83 (17) | Cs1iii—Co1—O7—P2 | 47.08 (14) |
| Cs1vii—Co1—O2—P1 | 144.17 (17) | Cs1vi—Co1—O7—P2 | 154.02 (14) |
| O1iii—Co1—O2—Cs1iii | 52.90 (7) | Cs1vii—Co1—O7—P2 | −25.98 (14) |
| O1—Co1—O2—Cs1iii | −127.10 (7) | O2iii—Co1—O7—Cs1vi | 37.05 (6) |
| O7iii—Co1—O2—Cs1iii | −38.64 (6) | O2—Co1—O7—Cs1vi | −142.95 (6) |
| O7—Co1—O2—Cs1iii | 141.36 (6) | O1iii—Co1—O7—Cs1vi | −53.82 (6) |
| Cs1vi—Co1—O2—Cs1iii | 97.94 (6) | O1—Co1—O7—Cs1vi | 126.18 (6) |
| Cs1vii—Co1—O2—Cs1iii | −82.06 (6) | Cs1iii—Co1—O7—Cs1vi | −106.94 (4) |
| O1iii—Co1—O2—Cs1vii | 134.96 (7) | Cs1vii—Co1—O7—Cs1vi | 180 |
| O1—Co1—O2—Cs1vii | −45.04 (7) | O2—P1—C1—P2 | −44.78 (16) |
| O7iii—Co1—O2—Cs1vii | 43.42 (6) | O4—P1—C1—P2 | −169.80 (12) |
| O7—Co1—O2—Cs1vii | −136.58 (6) | O3—P1—C1—P2 | 74.63 (14) |
| Cs1iii—Co1—O2—Cs1vii | 82.06 (6) | Cs1iii—P1—C1—P2 | −100.25 (12) |
| Cs1vi—Co1—O2—Cs1vii | 180 | Cs1vii—P1—C1—P2 | −3.5 (2) |
| O2—P1—O3—Cs1ii | −136.98 (17) | O2—P1—C1—Cs1viii | 123.58 (19) |
| O4—P1—O3—Cs1ii | −11.3 (2) | O4—P1—C1—Cs1viii | −1.4 (2) |
| C1—P1—O3—Cs1ii | 103.8 (2) | O3—P1—C1—Cs1viii | −117.01 (19) |
| Cs1iii—P1—O3—Cs1ii | −81.1 (2) | Cs1iii—P1—C1—Cs1viii | 68.1 (2) |
| Cs1vii—P1—O3—Cs1ii | −109.40 (19) | Cs1vii—P1—C1—Cs1viii | 164.84 (9) |
| O2—P1—O3—Cs1vii | −27.58 (9) | O7—P2—C1—P1 | 62.05 (15) |
| O4—P1—O3—Cs1vii | 98.08 (9) | O6—P2—C1—P1 | −64.42 (15) |
| C1—P1—O3—Cs1vii | −146.80 (8) | O5—P2—C1—P1 | −179.41 (12) |
| Cs1iii—P1—O3—Cs1vii | 28.30 (7) | Cs1v—P2—C1—P1 | −111.48 (11) |
| O2—P1—O4—Cs1iii | 2.46 (9) | Cs1viii—P2—C1—P1 | 174.11 (15) |
| O3—P1—O4—Cs1iii | −120.24 (8) | O7—P2—C1—Cs1viii | −112.06 (8) |
| C1—P1—O4—Cs1iii | 124.27 (8) | O6—P2—C1—Cs1viii | 121.47 (8) |
| Cs1vii—P1—O4—Cs1iii | −48.42 (5) | O5—P2—C1—Cs1viii | 6.48 (9) |
| O7—P2—O5—Cs1viii | 109.03 (10) | Cs1v—P2—C1—Cs1viii | 74.41 (7) |
| O6—P2—O5—Cs1viii | −122.68 (10) |
| H··· | ||||
| O1—H1A···O4i | 0.92 (2) | 1.94 (2) | 2.860 (3) | 173 (3) |
| O5—H5B···O4iv | 0.85 (2) | 1.69 (3) | 2.518 (3) | 164 (7) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O1—H1 | 0.92 (2) | 1.94 (2) | 2.860 (3) | 173 (3) |
| O5—H5 | 0.85 (2) | 1.69 (3) | 2.518 (3) | 164 (7) |
Symmetry codes: (i) ; (ii) .