| Literature DB >> 21582352 |
Marilyn M Olmstead1, Christine M Beavers, Latisha Paw U.
Abstract
The title compound, {[BaPt(CN)(4)(C(12)H(26)N(2)O(4))]·0.5H(2)O}(n), is a two-dimensional coordination polymer in which the sheets are oriented approximately parallel to the (01) set of crystal planes. In the crystal structure, disordered water mol-ecules (half occupancy) connect the sheets into a three-dimensional network via inter-molecular O-H⋯O hydrogen bonds. An N-H⋯N inter-action is also present. The shortest Pt⋯Pt contacts are 7.5969 (4) Å by an inversion relationship and 7.6781 (4) Å by translation along the a axis.Entities:
Year: 2009 PMID: 21582352 PMCID: PMC2968926 DOI: 10.1107/S1600536809008915
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [BaPt(CN)4(C12H26N2O4)]·0.5H2O | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 7683 reflections |
| θ = 2.4–33.6° | |
| µ = 7.78 mm−1 | |
| β = 93.254 (2)° | Prism, colorless |
| 0.18 × 0.10 × 0.06 mm | |
| Bruker SMART APEXII diffractometer | 5292 independent reflections |
| Radiation source: fine-focus sealed tube | 5066 reflections with |
| graphite | |
| Detector resolution: 8.3 pixels mm-1 | θmax = 27.5°, θmin = 1.7° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 30095 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H atoms treated by a mixture of independent and constrained refinement | |
| 5292 reflections | (Δ/σ)max = 0.003 |
| 276 parameters | Δρmax = 0.72 e Å−3 |
| 3 restraints | Δρmin = −0.42 e Å−3 |
| 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 |
| Occ. (<1) | |||||
| Ba1 | 0.208165 (16) | 0.303438 (8) | 0.122058 (6) | 0.01394 (3) | |
| Pt1 | 0.519371 (10) | 0.670691 (5) | 0.139759 (4) | 0.01325 (3) | |
| O1 | 0.4491 (2) | 0.29360 (10) | 0.22989 (7) | 0.0214 (3) | |
| O2 | 0.4371 (2) | 0.15673 (10) | 0.13466 (8) | 0.0215 (3) | |
| O3 | −0.0794 (2) | 0.28946 (11) | 0.02904 (8) | 0.0238 (3) | |
| O4 | −0.0661 (2) | 0.42719 (11) | 0.12179 (8) | 0.0243 (3) | |
| O5 | 0.9018 (6) | 1.0164 (3) | 0.1191 (2) | 0.0460 (10) | 0.50 |
| H5C | 0.809 (6) | 0.985 (4) | 0.142 (3) | 0.069* | 0.50 |
| H5D | 0.944 (8) | 1.063 (3) | 0.151 (2) | 0.069* | 0.50 |
| N1 | 0.6016 (3) | 0.66373 (15) | −0.00967 (11) | 0.0382 (6) | |
| N2 | 0.6503 (3) | 0.87107 (13) | 0.13625 (10) | 0.0296 (5) | |
| N3 | 0.4574 (3) | 0.67833 (12) | 0.29213 (9) | 0.0225 (4) | |
| N4 | 0.3748 (3) | 0.47391 (13) | 0.13041 (9) | 0.0249 (4) | |
| N5 | 0.1327 (3) | 0.39373 (13) | 0.24229 (9) | 0.0208 (4) | |
| H5 | 0.067 (4) | 0.361 (2) | 0.2607 (14) | 0.033 (8)* | |
| N6 | 0.1924 (3) | 0.15917 (12) | 0.02347 (10) | 0.0215 (4) | |
| H6 | 0.251 (4) | 0.1801 (17) | −0.0055 (15) | 0.031 (8)* | |
| C1 | 0.5688 (3) | 0.66477 (15) | 0.04481 (12) | 0.0240 (5) | |
| C2 | 0.6033 (3) | 0.79805 (15) | 0.13932 (10) | 0.0200 (4) | |
| C3 | 0.4780 (3) | 0.67493 (13) | 0.23617 (11) | 0.0170 (4) | |
| C4 | 0.4298 (3) | 0.54565 (14) | 0.13458 (10) | 0.0175 (4) | |
| C5 | 0.5553 (3) | 0.21485 (16) | 0.23661 (12) | 0.0287 (5) | |
| H5A | 0.4929 | 0.1678 | 0.2605 | 0.034* | |
| H5B | 0.6649 | 0.2291 | 0.2626 | 0.034* | |
| C6 | 0.5967 (3) | 0.18077 (16) | 0.16941 (13) | 0.0265 (5) | |
| H6A | 0.6568 | 0.2280 | 0.1448 | 0.032* | |
| H6B | 0.6745 | 0.1278 | 0.1739 | 0.032* | |
| C7 | 0.4592 (3) | 0.09987 (15) | 0.07817 (11) | 0.0251 (5) | |
| H7A | 0.5213 | 0.0441 | 0.0921 | 0.030* | |
| H7B | 0.5289 | 0.1313 | 0.0456 | 0.030* | |
| C8 | 0.2811 (3) | 0.07755 (15) | 0.04759 (11) | 0.0262 (5) | |
| H8A | 0.2926 | 0.0352 | 0.0104 | 0.031* | |
| H8B | 0.2109 | 0.0480 | 0.0809 | 0.031* | |
| C9 | 0.0142 (3) | 0.14452 (17) | −0.00443 (13) | 0.0305 (5) | |
| H9A | −0.0576 | 0.1176 | 0.0295 | 0.037* | |
| H9B | 0.0161 | 0.1023 | −0.0422 | 0.037* | |
| C10 | −0.0645 (3) | 0.23237 (17) | −0.02739 (12) | 0.0305 (5) | |
| H10A | 0.0104 | 0.2612 | −0.0595 | 0.037* | |
| H10B | −0.1811 | 0.2220 | −0.0495 | 0.037* | |
| C11 | −0.1347 (3) | 0.37872 (16) | 0.01136 (12) | 0.0268 (5) | |
| H11A | −0.2267 | 0.3764 | −0.0249 | 0.032* | |
| H11B | −0.0351 | 0.4136 | −0.0041 | 0.032* | |
| C12 | −0.2041 (3) | 0.42288 (17) | 0.07133 (12) | 0.0284 (5) | |
| H12A | −0.2463 | 0.4841 | 0.0600 | 0.034* | |
| H12B | −0.3029 | 0.3877 | 0.0872 | 0.034* | |
| C13 | −0.1241 (3) | 0.46060 (16) | 0.18350 (12) | 0.0271 (5) | |
| H13A | −0.2026 | 0.4164 | 0.2030 | 0.033* | |
| H13B | −0.1893 | 0.5174 | 0.1760 | 0.033* | |
| C14 | 0.0335 (3) | 0.47660 (15) | 0.23000 (11) | 0.0257 (5) | |
| H14A | 0.1096 | 0.5221 | 0.2106 | 0.031* | |
| H14B | −0.0047 | 0.5004 | 0.2725 | 0.031* | |
| C15 | 0.2917 (3) | 0.40898 (16) | 0.28449 (11) | 0.0261 (5) | |
| H15A | 0.2594 | 0.4311 | 0.3283 | 0.031* | |
| H15B | 0.3630 | 0.4559 | 0.2643 | 0.031* | |
| C16 | 0.3982 (3) | 0.32446 (15) | 0.29356 (11) | 0.0258 (5) | |
| H16A | 0.5034 | 0.3366 | 0.3228 | 0.031* | |
| H16B | 0.3286 | 0.2775 | 0.3146 | 0.031* |
| Ba1 | 0.01958 (6) | 0.01186 (6) | 0.01060 (6) | −0.00094 (4) | 0.00280 (4) | 0.00008 (4) |
| Pt1 | 0.01580 (4) | 0.01269 (4) | 0.01157 (4) | −0.00147 (3) | 0.00343 (3) | −0.00084 (3) |
| O1 | 0.0295 (9) | 0.0185 (8) | 0.0160 (7) | 0.0012 (6) | −0.0015 (6) | −0.0014 (6) |
| O2 | 0.0250 (8) | 0.0182 (8) | 0.0213 (8) | 0.0018 (6) | 0.0009 (6) | −0.0040 (6) |
| O3 | 0.0294 (9) | 0.0220 (8) | 0.0196 (8) | 0.0003 (7) | −0.0030 (7) | 0.0013 (6) |
| O4 | 0.0240 (8) | 0.0266 (9) | 0.0224 (8) | 0.0054 (7) | 0.0017 (6) | −0.0021 (7) |
| O5 | 0.050 (2) | 0.040 (2) | 0.048 (2) | −0.0111 (19) | 0.008 (2) | −0.0052 (19) |
| N1 | 0.0621 (16) | 0.0335 (12) | 0.0210 (11) | −0.0269 (11) | 0.0185 (11) | −0.0095 (9) |
| N2 | 0.0400 (12) | 0.0207 (10) | 0.0293 (11) | −0.0052 (9) | 0.0132 (9) | −0.0031 (8) |
| N3 | 0.0286 (11) | 0.0216 (10) | 0.0176 (10) | 0.0007 (8) | 0.0046 (8) | −0.0011 (7) |
| N4 | 0.0339 (11) | 0.0202 (10) | 0.0215 (10) | −0.0049 (8) | 0.0087 (8) | −0.0026 (8) |
| N5 | 0.0300 (10) | 0.0161 (9) | 0.0170 (9) | 0.0001 (8) | 0.0068 (8) | −0.0001 (7) |
| N6 | 0.0315 (11) | 0.0162 (9) | 0.0171 (9) | −0.0034 (8) | 0.0029 (8) | −0.0001 (7) |
| C1 | 0.0327 (13) | 0.0184 (11) | 0.0215 (12) | −0.0098 (9) | 0.0072 (10) | −0.0035 (8) |
| C2 | 0.0231 (11) | 0.0212 (11) | 0.0162 (10) | −0.0025 (9) | 0.0067 (8) | −0.0024 (8) |
| C3 | 0.0190 (10) | 0.0131 (10) | 0.0189 (11) | −0.0016 (8) | 0.0016 (8) | −0.0003 (8) |
| C4 | 0.0202 (10) | 0.0205 (11) | 0.0124 (9) | −0.0008 (8) | 0.0057 (8) | −0.0016 (8) |
| C5 | 0.0322 (13) | 0.0233 (12) | 0.0295 (13) | 0.0052 (10) | −0.0076 (10) | −0.0015 (10) |
| C6 | 0.0243 (12) | 0.0212 (12) | 0.0338 (14) | 0.0004 (9) | −0.0005 (10) | −0.0029 (10) |
| C7 | 0.0347 (13) | 0.0181 (11) | 0.0231 (11) | 0.0055 (9) | 0.0069 (10) | −0.0046 (9) |
| C8 | 0.0403 (14) | 0.0146 (11) | 0.0234 (11) | 0.0002 (10) | 0.0014 (10) | −0.0055 (9) |
| C9 | 0.0391 (14) | 0.0240 (12) | 0.0275 (13) | −0.0070 (11) | −0.0062 (11) | −0.0067 (10) |
| C10 | 0.0369 (14) | 0.0306 (13) | 0.0229 (12) | −0.0044 (11) | −0.0086 (10) | −0.0040 (10) |
| C11 | 0.0267 (12) | 0.0284 (13) | 0.0251 (12) | 0.0018 (10) | −0.0015 (9) | 0.0053 (10) |
| C12 | 0.0268 (12) | 0.0293 (13) | 0.0289 (12) | 0.0051 (10) | 0.0009 (10) | 0.0056 (10) |
| C13 | 0.0304 (12) | 0.0226 (12) | 0.0294 (12) | 0.0074 (10) | 0.0107 (10) | −0.0013 (10) |
| C14 | 0.0368 (13) | 0.0188 (11) | 0.0224 (11) | 0.0043 (10) | 0.0098 (10) | −0.0034 (9) |
| C15 | 0.0419 (14) | 0.0229 (12) | 0.0137 (10) | −0.0020 (10) | 0.0021 (9) | −0.0047 (9) |
| C16 | 0.0376 (14) | 0.0245 (12) | 0.0148 (11) | −0.0031 (10) | −0.0035 (10) | −0.0031 (9) |
| Ba1—O1 | 2.7831 (15) | N6—C9 | 1.466 (3) |
| Ba1—O2 | 2.8062 (15) | N6—H6 | 0.82 (3) |
| Ba1—O3 | 2.8261 (16) | C5—C6 | 1.502 (3) |
| Ba1—O4 | 2.7980 (15) | C5—H5A | 0.9900 |
| Ba1—N1i | 2.814 (2) | C5—H5B | 0.9900 |
| Ba1—N3ii | 2.8896 (19) | C6—H6A | 0.9900 |
| Ba1—N4 | 2.8431 (19) | C6—H6B | 0.9900 |
| Ba1—N5 | 2.8671 (18) | C7—C8 | 1.506 (3) |
| Ba1—N6 | 2.9291 (19) | C7—H7A | 0.9900 |
| Pt1—Pt1i | 7.5969 (4) | C7—H7B | 0.9900 |
| Pt1—Pt1iii | 7.6781 (4) | C8—H8A | 0.9900 |
| Pt1—C1 | 1.981 (2) | C8—H8B | 0.9900 |
| Pt1—C2 | 2.003 (2) | C9—C10 | 1.503 (4) |
| Pt1—C3 | 1.995 (2) | C9—H9A | 0.9900 |
| Pt1—C4 | 1.985 (2) | C9—H9B | 0.9900 |
| O1—C5 | 1.430 (3) | C10—H10A | 0.9900 |
| O1—C16 | 1.442 (3) | C10—H10B | 0.9900 |
| O2—C6 | 1.424 (3) | C11—C12 | 1.504 (3) |
| O2—C7 | 1.440 (3) | C11—H11A | 0.9900 |
| O3—C10 | 1.433 (3) | C11—H11B | 0.9900 |
| O3—C11 | 1.434 (3) | C12—H12A | 0.9900 |
| O4—C12 | 1.431 (3) | C12—H12B | 0.9900 |
| O4—C13 | 1.438 (3) | C13—C14 | 1.509 (3) |
| O5—H5C | 0.990 (10) | C13—H13A | 0.9900 |
| O5—H5D | 0.989 (10) | C13—H13B | 0.9900 |
| N1—C1 | 1.145 (3) | C14—H14A | 0.9900 |
| N2—C2 | 1.148 (3) | C14—H14B | 0.9900 |
| N3—C3 | 1.153 (3) | C15—C16 | 1.506 (3) |
| N4—C4 | 1.150 (3) | C15—H15A | 0.9900 |
| N5—C14 | 1.464 (3) | C15—H15B | 0.9900 |
| N5—C15 | 1.467 (3) | C16—H16A | 0.9900 |
| N5—H5 | 0.81 (3) | C16—H16B | 0.9900 |
| N6—C8 | 1.463 (3) | ||
| O1—Ba1—O4 | 120.20 (4) | N4—C4—Pt1 | 178.3 (2) |
| O1—Ba1—O2 | 60.18 (4) | O1—C5—C6 | 109.86 (19) |
| O4—Ba1—O2 | 168.59 (5) | O1—C5—H5A | 109.7 |
| O1—Ba1—N1i | 106.86 (6) | C6—C5—H5A | 109.7 |
| O4—Ba1—N1i | 108.01 (6) | O1—C5—H5B | 109.7 |
| O2—Ba1—N1i | 81.80 (6) | C6—C5—H5B | 109.7 |
| O1—Ba1—O3 | 167.83 (5) | H5A—C5—H5B | 108.2 |
| O4—Ba1—O3 | 59.19 (5) | O2—C6—C5 | 108.1 (2) |
| O2—Ba1—O3 | 117.70 (5) | O2—C6—H6A | 110.1 |
| N1i—Ba1—O3 | 84.06 (6) | C5—C6—H6A | 110.1 |
| O1—Ba1—N4 | 73.94 (5) | O2—C6—H6B | 110.1 |
| O4—Ba1—N4 | 75.43 (5) | C5—C6—H6B | 110.1 |
| O2—Ba1—N4 | 114.32 (5) | H6A—C6—H6B | 108.4 |
| N1i—Ba1—N4 | 68.93 (6) | O2—C7—C8 | 108.08 (18) |
| O3—Ba1—N4 | 115.93 (5) | O2—C7—H7A | 110.1 |
| O1—Ba1—N5 | 61.12 (5) | C8—C7—H7A | 110.1 |
| O4—Ba1—N5 | 60.30 (5) | O2—C7—H7B | 110.1 |
| O2—Ba1—N5 | 116.33 (5) | C8—C7—H7B | 110.1 |
| N1i—Ba1—N5 | 138.01 (6) | H7A—C7—H7B | 108.4 |
| O3—Ba1—N5 | 114.31 (5) | N6—C8—C7 | 110.40 (19) |
| N4—Ba1—N5 | 69.08 (5) | N6—C8—H8A | 109.6 |
| O1—Ba1—N3ii | 77.91 (5) | C7—C8—H8A | 109.6 |
| O4—Ba1—N3ii | 93.95 (5) | N6—C8—H8B | 109.6 |
| O2—Ba1—N3ii | 74.83 (5) | C7—C8—H8B | 109.6 |
| N1i—Ba1—N3ii | 149.73 (6) | H8A—C8—H8B | 108.1 |
| O3—Ba1—N3ii | 89.94 (5) | N6—C9—C10 | 109.8 (2) |
| N4—Ba1—N3ii | 138.73 (5) | N6—C9—H9A | 109.7 |
| N5—Ba1—N3ii | 71.06 (5) | C10—C9—H9A | 109.7 |
| O1—Ba1—N6 | 119.68 (5) | N6—C9—H9B | 109.7 |
| O4—Ba1—N6 | 118.65 (5) | C10—C9—H9B | 109.7 |
| O2—Ba1—N6 | 59.51 (5) | H9A—C9—H9B | 108.2 |
| N1i—Ba1—N6 | 65.19 (6) | O3—C10—C9 | 108.59 (19) |
| O3—Ba1—N6 | 59.47 (5) | O3—C10—H10A | 110.0 |
| N4—Ba1—N6 | 134.12 (5) | C9—C10—H10A | 110.0 |
| N5—Ba1—N6 | 156.79 (6) | O3—C10—H10B | 110.0 |
| N3ii—Ba1—N6 | 86.21 (5) | C9—C10—H10B | 110.0 |
| C1—Pt1—C2 | 87.61 (9) | H10A—C10—H10B | 108.4 |
| C1—Pt1—C3 | 177.97 (10) | O3—C11—C12 | 108.50 (19) |
| C1—Pt1—C4 | 89.54 (8) | O3—C11—H11A | 110.0 |
| C3—Pt1—C2 | 92.50 (8) | C12—C11—H11A | 110.0 |
| C4—Pt1—C2 | 176.47 (9) | O3—C11—H11B | 110.0 |
| C4—Pt1—C3 | 90.42 (8) | C12—C11—H11B | 110.0 |
| C5—O1—C16 | 110.98 (17) | H11A—C11—H11B | 108.4 |
| C5—O1—Ba1 | 117.88 (12) | O4—C12—C11 | 108.26 (19) |
| C16—O1—Ba1 | 118.79 (13) | O4—C12—H12A | 110.0 |
| C6—O2—C7 | 113.74 (17) | C11—C12—H12A | 110.0 |
| C6—O2—Ba1 | 111.50 (12) | O4—C12—H12B | 110.0 |
| C7—O2—Ba1 | 119.14 (13) | C11—C12—H12B | 110.0 |
| C10—O3—C11 | 112.75 (17) | H12A—C12—H12B | 108.4 |
| C10—O3—Ba1 | 118.66 (13) | O4—C13—C14 | 108.62 (18) |
| C11—O3—Ba1 | 107.88 (13) | O4—C13—H13A | 110.0 |
| C12—O4—C13 | 112.47 (17) | C14—C13—H13A | 110.0 |
| C12—O4—Ba1 | 119.92 (13) | O4—C13—H13B | 110.0 |
| C13—O4—Ba1 | 119.74 (13) | C14—C13—H13B | 110.0 |
| H5C—O5—H5D | 104 (3) | H13A—C13—H13B | 108.3 |
| C1—N1—Ba1i | 158.2 (2) | N5—C14—C13 | 111.34 (19) |
| C3—N3—Ba1iv | 135.06 (16) | N5—C14—H14A | 109.4 |
| C4—N4—Ba1 | 174.69 (17) | C13—C14—H14A | 109.4 |
| C14—N5—C15 | 112.09 (18) | N5—C14—H14B | 109.4 |
| C14—N5—Ba1 | 112.29 (13) | C13—C14—H14B | 109.4 |
| C15—N5—Ba1 | 111.39 (13) | H14A—C14—H14B | 108.0 |
| C14—N5—H5 | 105 (2) | N5—C15—C16 | 111.70 (18) |
| C15—N5—H5 | 110 (2) | N5—C15—H15A | 109.3 |
| Ba1—N5—H5 | 106 (2) | C16—C15—H15A | 109.3 |
| C8—N6—C9 | 114.29 (18) | N5—C15—H15B | 109.3 |
| C8—N6—Ba1 | 112.42 (13) | C16—C15—H15B | 109.3 |
| C9—N6—Ba1 | 111.89 (14) | H15A—C15—H15B | 107.9 |
| C8—N6—H6 | 107 (2) | O1—C16—C15 | 109.27 (18) |
| C9—N6—H6 | 109 (2) | O1—C16—H16A | 109.8 |
| Ba1—N6—H6 | 101.8 (19) | C15—C16—H16A | 109.8 |
| N1—C1—Pt1 | 177.6 (2) | O1—C16—H16B | 109.8 |
| N2—C2—Pt1 | 177.15 (19) | C15—C16—H16B | 109.8 |
| N3—C3—Pt1 | 178.6 (2) | H16A—C16—H16B | 108.3 |
| O4—Ba1—O1—C5 | 162.79 (15) | N6—Ba1—O4—C13 | 142.47 (15) |
| O2—Ba1—O1—C5 | −4.04 (14) | O1—Ba1—N5—C14 | 146.68 (17) |
| N1i—Ba1—O1—C5 | −73.83 (16) | O4—Ba1—N5—C14 | −20.73 (14) |
| O3—Ba1—O1—C5 | 79.3 (3) | O2—Ba1—N5—C14 | 171.63 (14) |
| N4—Ba1—O1—C5 | −135.26 (16) | N1i—Ba1—N5—C14 | 63.44 (19) |
| N5—Ba1—O1—C5 | 150.13 (17) | O3—Ba1—N5—C14 | −45.94 (16) |
| N3ii—Ba1—O1—C5 | 75.26 (15) | N4—Ba1—N5—C14 | 64.00 (15) |
| N6—Ba1—O1—C5 | −3.21 (17) | N3ii—Ba1—N5—C14 | −126.96 (16) |
| O4—Ba1—O1—C16 | 23.94 (15) | N6—Ba1—N5—C14 | −114.77 (18) |
| O2—Ba1—O1—C16 | −142.89 (15) | O1—Ba1—N5—C15 | 20.02 (13) |
| N1i—Ba1—O1—C16 | 147.32 (14) | O4—Ba1—N5—C15 | −147.39 (16) |
| O3—Ba1—O1—C16 | −59.6 (3) | O2—Ba1—N5—C15 | 44.97 (15) |
| N4—Ba1—O1—C16 | 85.89 (14) | N1i—Ba1—N5—C15 | −63.22 (18) |
| N5—Ba1—O1—C16 | 11.28 (14) | O3—Ba1—N5—C15 | −172.60 (13) |
| N3ii—Ba1—O1—C16 | −63.59 (14) | N4—Ba1—N5—C15 | −62.66 (14) |
| N6—Ba1—O1—C16 | −142.06 (14) | N3ii—Ba1—N5—C15 | 106.38 (15) |
| O1—Ba1—O2—C6 | −28.85 (14) | N6—Ba1—N5—C15 | 118.57 (17) |
| O4—Ba1—O2—C6 | −124.0 (2) | O1—Ba1—N6—C8 | 16.47 (17) |
| N1i—Ba1—O2—C6 | 86.00 (15) | O4—Ba1—N6—C8 | −149.75 (14) |
| O3—Ba1—O2—C6 | 164.83 (14) | O2—Ba1—N6—C8 | 17.30 (14) |
| N4—Ba1—O2—C6 | 23.63 (15) | N1i—Ba1—N6—C8 | 112.45 (17) |
| N5—Ba1—O2—C6 | −54.05 (15) | O3—Ba1—N6—C8 | −149.49 (17) |
| N3ii—Ba1—O2—C6 | −113.42 (15) | N4—Ba1—N6—C8 | 112.74 (15) |
| N6—Ba1—O2—C6 | 151.98 (16) | N5—Ba1—N6—C8 | −68.9 (2) |
| O1—Ba1—O2—C7 | −164.49 (16) | N3ii—Ba1—N6—C8 | −57.32 (15) |
| O4—Ba1—O2—C7 | 100.3 (3) | O1—Ba1—N6—C9 | 146.66 (14) |
| N1i—Ba1—O2—C7 | −49.64 (15) | O4—Ba1—N6—C9 | −19.55 (17) |
| O3—Ba1—O2—C7 | 29.19 (16) | O2—Ba1—N6—C9 | 147.49 (17) |
| N4—Ba1—O2—C7 | −112.01 (15) | N1i—Ba1—N6—C9 | −117.35 (17) |
| N5—Ba1—O2—C7 | 170.31 (14) | O3—Ba1—N6—C9 | −19.29 (14) |
| N3ii—Ba1—O2—C7 | 110.94 (15) | N4—Ba1—N6—C9 | −117.06 (16) |
| N6—Ba1—O2—C7 | 16.34 (14) | N5—Ba1—N6—C9 | 61.3 (2) |
| O1—Ba1—O3—C10 | −104.1 (2) | N3ii—Ba1—N6—C9 | 72.88 (15) |
| O4—Ba1—O3—C10 | 165.23 (17) | C16—O1—C5—C6 | 176.36 (19) |
| O2—Ba1—O3—C10 | −27.36 (16) | Ba1—O1—C5—C6 | 34.5 (2) |
| N1i—Ba1—O3—C10 | 50.13 (16) | C7—O2—C6—C5 | −163.08 (18) |
| N4—Ba1—O3—C10 | 113.22 (15) | Ba1—O2—C6—C5 | 58.8 (2) |
| N5—Ba1—O3—C10 | −169.25 (15) | O1—C5—C6—O2 | −62.2 (2) |
| N3ii—Ba1—O3—C10 | −100.14 (16) | C6—O2—C7—C8 | 178.29 (19) |
| N6—Ba1—O3—C10 | −14.51 (15) | Ba1—O2—C7—C8 | −47.0 (2) |
| O1—Ba1—O3—C11 | 126.2 (2) | C9—N6—C8—C7 | −177.3 (2) |
| O4—Ba1—O3—C11 | 35.48 (12) | Ba1—N6—C8—C7 | −48.3 (2) |
| O2—Ba1—O3—C11 | −157.11 (12) | O2—C7—C8—N6 | 62.9 (2) |
| N1i—Ba1—O3—C11 | −79.61 (13) | C8—N6—C9—C10 | 179.8 (2) |
| N4—Ba1—O3—C11 | −16.52 (14) | Ba1—N6—C9—C10 | 50.6 (2) |
| N5—Ba1—O3—C11 | 61.00 (14) | C11—O3—C10—C9 | 173.3 (2) |
| N3ii—Ba1—O3—C11 | 130.11 (13) | Ba1—O3—C10—C9 | 45.8 (2) |
| N6—Ba1—O3—C11 | −144.25 (14) | N6—C9—C10—O3 | −64.2 (3) |
| O1—Ba1—O4—C12 | −170.45 (14) | C10—O3—C11—C12 | 161.05 (19) |
| O2—Ba1—O4—C12 | −81.9 (3) | Ba1—O3—C11—C12 | −65.97 (19) |
| N1i—Ba1—O4—C12 | 66.73 (16) | C13—O4—C12—C11 | −174.38 (19) |
| O3—Ba1—O4—C12 | −4.57 (14) | Ba1—O4—C12—C11 | −25.4 (2) |
| N4—Ba1—O4—C12 | 128.36 (16) | O3—C11—C12—O4 | 61.3 (2) |
| N5—Ba1—O4—C12 | −157.69 (17) | C12—O4—C13—C14 | −171.16 (19) |
| N3ii—Ba1—O4—C12 | −92.14 (15) | Ba1—O4—C13—C14 | 39.8 (2) |
| N6—Ba1—O4—C12 | −4.31 (17) | C15—N5—C14—C13 | 176.85 (18) |
| O1—Ba1—O4—C13 | −23.67 (17) | Ba1—N5—C14—C13 | 50.6 (2) |
| O2—Ba1—O4—C13 | 64.9 (3) | O4—C13—C14—N5 | −59.8 (2) |
| N1i—Ba1—O4—C13 | −146.49 (15) | C14—N5—C15—C16 | −176.63 (19) |
| O3—Ba1—O4—C13 | 142.21 (16) | Ba1—N5—C15—C16 | −49.9 (2) |
| N4—Ba1—O4—C13 | −84.86 (15) | C5—O1—C16—C15 | 178.20 (19) |
| N5—Ba1—O4—C13 | −10.91 (15) | Ba1—O1—C16—C15 | −40.3 (2) |
| N3ii—Ba1—O4—C13 | 54.64 (16) | N5—C15—C16—O1 | 60.5 (2) |
| H··· | ||||
| O5—H5C···N2 | 0.99 (1) | 2.09 (4) | 2.934 (5) | 142 (5) |
| O5—H5D···N3v | 0.99 (1) | 2.18 (1) | 3.159 (4) | 171 (5) |
| N6—H6···N1i | 0.82 (3) | 2.60 (3) | 3.096 (3) | 121 (2) |
| Ba1—O1 | 2.7831 (15) |
| Ba1—O2 | 2.8062 (15) |
| Ba1—O3 | 2.8261 (16) |
| Ba1—O4 | 2.7980 (15) |
| Ba1—N1i | 2.814 (2) |
| Ba1—N3ii | 2.8896 (19) |
| Ba1—N4 | 2.8431 (19) |
| Ba1—N5 | 2.8671 (18) |
| Ba1—N6 | 2.9291 (19) |
| Pt1—C1 | 1.981 (2) |
| Pt1—C2 | 2.003 (2) |
| Pt1—C3 | 1.995 (2) |
| Pt1—C4 | 1.985 (2) |
| C1—Pt1—C2 | 87.61 (9) |
| C1—Pt1—C3 | 177.97 (10) |
| C1—Pt1—C4 | 89.54 (8) |
| C3—Pt1—C2 | 92.50 (8) |
| C4—Pt1—C2 | 176.47 (9) |
| C4—Pt1—C3 | 90.42 (8) |
Symmetry codes: (i) ; (ii) .
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| O5—H5 | 0.990 (10) | 2.09 (4) | 2.934 (5) | 142 (5) |
| O5—H5 | 0.989 (10) | 2.179 (14) | 3.159 (4) | 171 (5) |
| N6—H6⋯N1i | 0.82 (3) | 2.60 (3) | 3.096 (3) | 121 (2) |
Symmetry codes: (i) ; (iv) .