| Literature DB >> 21581182 |
Abstract
In the title compound, [Rh(C(22)H(32)N(3)O(5))(CO)(2)], the Rh(I) atom is coordinated by two carbonyl ligands and two tropolonate O atoms in a distorted square-planar geometry. It is an example of a new type of tropolone derivative that has not been characterized via solid-state methods. Weak intra-molecular C-H⋯N and inter-molecular C-H⋯O hydrogen bonds, and π-π stacking inter-actions between the tropolone rings [centroid-centroid distance = 3.590 (8) Å] are observed in the crystal structure.Entities:
Year: 2008 PMID: 21581182 PMCID: PMC2960118 DOI: 10.1107/S160053680803780X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Rh(C22H32N3O5)(CO)2] | |
| Monoclinic, | Mo |
| Hall symbol: -C 2yc | Cell parameters from 7078 reflections |
| θ = 2.4–26.3º | |
| µ = 0.73 mm−1 | |
| β = 105.772 (1)º | Needle, yellow |
| 0.15 × 0.06 × 0.05 mm | |
| Bruker X8 APEXII Kappa CCD diffractometer | 4616 reflections with |
| Radiation source: sealed tube | |
| Monochromator: graphite | θmax = 27.0º |
| ω and φ scans | θmin = 1.9º |
| Absorption correction: multi-scan(SADABS; Bruker, 2001) | |
| 36747 measured reflections | |
| 5450 independent reflections |
| Refinement on | H-atom parameters constrained |
| Least-squares matrix: full | |
| (Δ/σ)max = 0.001 | |
| Δρmax = 0.58 e Å−3 | |
| Δρmin = −0.55 e Å−3 | |
| 5450 reflections | Extinction correction: none |
| 316 parameters |
| Rh1 | 0.005201 (12) | 0.212518 (10) | 0.158973 (11) | 0.01523 (6) | |
| N32 | −0.29013 (12) | 0.40449 (12) | 0.14152 (12) | 0.0184 (4) | |
| N52 | −0.09972 (13) | 0.68641 (11) | 0.11782 (12) | 0.0193 (5) | |
| N72 | 0.12652 (12) | 0.55064 (11) | 0.12939 (11) | 0.0161 (4) | |
| O1 | −0.09251 (10) | 0.27724 (9) | 0.15271 (9) | 0.0164 (4) | |
| O2 | 0.04571 (10) | 0.32572 (9) | 0.15522 (9) | 0.0168 (4) | |
| O35 | −0.44856 (11) | 0.45215 (11) | 0.09597 (11) | 0.0291 (4) | |
| O55 | −0.14421 (12) | 0.81072 (10) | 0.00353 (12) | 0.0338 (5) | |
| O75 | 0.19657 (11) | 0.67733 (10) | 0.06510 (10) | 0.0272 (4) | |
| C01 | 0.10082 (16) | 0.16569 (13) | 0.16882 (14) | 0.0186 (5) | |
| C02 | −0.04121 (15) | 0.11321 (14) | 0.15654 (14) | 0.0191 (5) | |
| O01 | 0.16289 (11) | 0.14149 (10) | 0.17892 (10) | 0.0266 (4) | |
| O02 | −0.07249 (11) | 0.05334 (10) | 0.15587 (11) | 0.0271 (4) | |
| C1 | −0.00561 (14) | 0.38233 (13) | 0.15364 (13) | 0.0139 (5) | |
| C2 | −0.08253 (15) | 0.35538 (13) | 0.15345 (13) | 0.0153 (5) | |
| C3 | −0.14821 (14) | 0.40295 (13) | 0.15290 (13) | 0.0148 (5) | |
| C4 | −0.15152 (15) | 0.48618 (13) | 0.15770 (13) | 0.0164 (5) | |
| H4 | −0.2013 | 0.5066 | 0.158 | 0.02* | |
| C5 | −0.09482 (14) | 0.54493 (13) | 0.16221 (13) | 0.0153 (5) | |
| C6 | −0.01989 (14) | 0.53233 (14) | 0.15582 (13) | 0.0154 (5) | |
| H6 | 0.0094 | 0.5803 | 0.1565 | 0.018* | |
| C7 | 0.02014 (14) | 0.46255 (13) | 0.14867 (13) | 0.0144 (5) | |
| C31 | −0.22148 (14) | 0.35437 (14) | 0.15082 (15) | 0.0201 (5) | |
| H31A | −0.231 | 0.3155 | 0.1069 | 0.024* | |
| H31B | −0.2127 | 0.3232 | 0.2001 | 0.024* | |
| C33 | −0.34489 (15) | 0.37470 (14) | 0.18290 (15) | 0.0212 (6) | |
| H33A | −0.3175 | 0.3657 | 0.2388 | 0.025* | |
| H33B | −0.3675 | 0.3228 | 0.16 | 0.025* | |
| C34 | −0.40884 (16) | 0.43614 (16) | 0.17571 (16) | 0.0263 (6) | |
| H34A | −0.4468 | 0.4161 | 0.2031 | 0.032* | |
| H34B | −0.386 | 0.4868 | 0.2015 | 0.032* | |
| C36 | −0.39560 (15) | 0.47768 (15) | 0.05269 (15) | 0.0236 (6) | |
| H36A | −0.3727 | 0.5303 | 0.073 | 0.028* | |
| H36B | −0.4245 | 0.4848 | −0.0031 | 0.028* | |
| C37 | −0.33140 (15) | 0.41744 (15) | 0.05905 (14) | 0.0222 (6) | |
| H37A | −0.3537 | 0.3659 | 0.035 | 0.027* | |
| H37B | −0.2944 | 0.4374 | 0.0305 | 0.027* | |
| C51 | −0.11655 (15) | 0.63133 (13) | 0.17494 (14) | 0.0184 (5) | |
| H51A | −0.173 | 0.6339 | 0.1716 | 0.022* | |
| H51B | −0.0873 | 0.6486 | 0.2283 | 0.022* | |
| C53 | −0.15194 (17) | 0.67127 (14) | 0.04011 (14) | 0.0239 (6) | |
| H53A | −0.2069 | 0.6774 | 0.0416 | 0.029* | |
| H53B | −0.1447 | 0.6155 | 0.0238 | 0.029* | |
| C54 | −0.1347 (2) | 0.72976 (16) | −0.01803 (17) | 0.0348 (7) | |
| H54A | −0.0804 | 0.7217 | −0.021 | 0.042* | |
| H54B | −0.1703 | 0.719 | −0.0706 | 0.042* | |
| C56 | −0.09308 (18) | 0.82638 (16) | 0.07909 (17) | 0.0344 (7) | |
| H56A | −0.1001 | 0.8827 | 0.0943 | 0.041* | |
| H56B | −0.0383 | 0.8198 | 0.0773 | 0.041* | |
| C57 | −0.10926 (17) | 0.76990 (14) | 0.13928 (16) | 0.0267 (6) | |
| H57A | −0.0729 | 0.7815 | 0.1912 | 0.032* | |
| H57B | −0.1632 | 0.7783 | 0.143 | 0.032* | |
| C71 | 0.10184 (14) | 0.46875 (13) | 0.13924 (14) | 0.0159 (5) | |
| H71A | 0.1388 | 0.4449 | 0.186 | 0.019* | |
| H71B | 0.1047 | 0.4365 | 0.0931 | 0.019* | |
| C73 | 0.09197 (15) | 0.58095 (14) | 0.04982 (14) | 0.0186 (5) | |
| H73A | 0.0344 | 0.5756 | 0.0361 | 0.022* | |
| H73B | 0.1115 | 0.5493 | 0.0117 | 0.022* | |
| C74 | 0.11413 (16) | 0.66843 (14) | 0.04648 (15) | 0.0226 (6) | |
| H74A | 0.0902 | 0.6898 | −0.0068 | 0.027* | |
| H74B | 0.0937 | 0.6999 | 0.084 | 0.027* | |
| C76 | 0.23202 (16) | 0.64617 (15) | 0.14098 (15) | 0.0254 (6) | |
| H76A | 0.2148 | 0.6782 | 0.1804 | 0.031* | |
| H76B | 0.2895 | 0.6514 | 0.1524 | 0.031* | |
| C77 | 0.21100 (15) | 0.55855 (14) | 0.14762 (15) | 0.0214 (6) | |
| H77A | 0.231 | 0.5256 | 0.1107 | 0.026* | |
| H77B | 0.2353 | 0.5389 | 0.2015 | 0.026* |
| Rh1 | 0.01874 (11) | 0.01015 (9) | 0.01714 (10) | 0.00082 (8) | 0.00544 (7) | 0.00046 (8) |
| N32 | 0.0151 (12) | 0.0180 (10) | 0.0232 (11) | 0.0017 (8) | 0.0071 (9) | 0.0042 (8) |
| N52 | 0.0243 (13) | 0.0108 (9) | 0.0241 (12) | 0.0005 (8) | 0.0087 (9) | 0.0007 (8) |
| N72 | 0.0160 (12) | 0.0147 (10) | 0.0173 (11) | −0.0031 (8) | 0.0044 (9) | 0.0002 (8) |
| O1 | 0.0176 (9) | 0.0104 (8) | 0.0215 (9) | −0.0011 (7) | 0.0059 (7) | 0.0009 (6) |
| O2 | 0.0169 (10) | 0.0116 (8) | 0.0234 (9) | 0.0009 (7) | 0.0082 (7) | 0.0007 (7) |
| O35 | 0.0178 (11) | 0.0348 (11) | 0.0350 (11) | 0.0033 (8) | 0.0075 (9) | 0.0029 (8) |
| O55 | 0.0412 (14) | 0.0205 (10) | 0.0409 (12) | 0.0053 (9) | 0.0134 (10) | 0.0108 (8) |
| O75 | 0.0316 (12) | 0.0229 (9) | 0.0280 (11) | −0.0096 (8) | 0.0094 (9) | 0.0049 (8) |
| C01 | 0.0276 (16) | 0.0111 (11) | 0.0180 (13) | −0.0013 (11) | 0.0075 (11) | −0.0012 (9) |
| C02 | 0.0227 (15) | 0.0181 (13) | 0.0178 (13) | 0.0044 (11) | 0.0074 (11) | 0.0012 (10) |
| O01 | 0.0241 (12) | 0.0217 (9) | 0.0331 (11) | 0.0048 (8) | 0.0065 (9) | 0.0003 (8) |
| O02 | 0.0307 (12) | 0.0167 (9) | 0.0368 (11) | −0.0040 (8) | 0.0141 (9) | −0.0027 (8) |
| C1 | 0.0171 (14) | 0.0143 (11) | 0.0112 (11) | −0.0002 (10) | 0.0055 (10) | −0.0017 (9) |
| C2 | 0.0229 (14) | 0.0124 (11) | 0.0102 (11) | −0.0016 (10) | 0.0036 (10) | 0.0013 (9) |
| C3 | 0.0163 (13) | 0.0152 (11) | 0.0136 (12) | −0.0015 (10) | 0.0053 (10) | 0.0029 (9) |
| C4 | 0.0174 (14) | 0.0169 (12) | 0.0150 (12) | 0.0032 (10) | 0.0047 (10) | 0.0014 (9) |
| C5 | 0.0191 (14) | 0.0134 (11) | 0.0134 (12) | 0.0003 (10) | 0.0042 (10) | 0.0002 (9) |
| C6 | 0.0195 (14) | 0.0147 (11) | 0.0124 (12) | −0.0032 (10) | 0.0052 (10) | −0.0004 (9) |
| C7 | 0.0150 (14) | 0.0167 (11) | 0.0112 (12) | −0.0031 (9) | 0.0028 (9) | −0.0020 (9) |
| C31 | 0.0186 (14) | 0.0156 (12) | 0.0266 (14) | −0.0001 (10) | 0.0069 (11) | 0.0029 (10) |
| C33 | 0.0209 (15) | 0.0174 (12) | 0.0274 (14) | −0.0023 (10) | 0.0102 (11) | 0.0027 (10) |
| C34 | 0.0248 (16) | 0.0270 (14) | 0.0319 (16) | 0.0018 (12) | 0.0160 (13) | 0.0032 (11) |
| C36 | 0.0230 (16) | 0.0245 (14) | 0.0227 (14) | 0.0035 (11) | 0.0051 (11) | 0.0013 (11) |
| C37 | 0.0216 (15) | 0.0230 (13) | 0.0224 (14) | 0.0026 (11) | 0.0068 (11) | −0.0003 (10) |
| C51 | 0.0223 (15) | 0.0149 (11) | 0.0196 (13) | 0.0022 (10) | 0.0083 (11) | −0.0022 (10) |
| C53 | 0.0314 (17) | 0.0162 (12) | 0.0242 (14) | 0.0038 (11) | 0.0075 (12) | 0.0005 (10) |
| C54 | 0.049 (2) | 0.0275 (15) | 0.0313 (16) | 0.0108 (13) | 0.0167 (14) | 0.0063 (12) |
| C56 | 0.0318 (18) | 0.0175 (13) | 0.052 (2) | −0.0038 (12) | 0.0075 (15) | 0.0067 (12) |
| C57 | 0.0326 (17) | 0.0140 (12) | 0.0319 (15) | 0.0007 (11) | 0.0060 (12) | −0.0026 (10) |
| C71 | 0.0185 (14) | 0.0131 (11) | 0.0163 (12) | −0.0027 (10) | 0.0054 (10) | −0.0018 (9) |
| C73 | 0.0207 (15) | 0.0176 (12) | 0.0172 (13) | −0.0026 (10) | 0.0045 (10) | −0.0004 (9) |
| C74 | 0.0294 (17) | 0.0188 (13) | 0.0188 (13) | −0.0043 (11) | 0.0050 (11) | 0.0003 (10) |
| C76 | 0.0214 (15) | 0.0232 (13) | 0.0309 (15) | −0.0067 (11) | 0.0057 (12) | 0.0027 (11) |
| C77 | 0.0193 (15) | 0.0186 (12) | 0.0261 (14) | −0.0026 (10) | 0.0060 (11) | 0.0000 (10) |
| Rh1—C01 | 1.835 (3) | C31—H31B | 0.99 |
| Rh1—C02 | 1.840 (2) | C33—C34 | 1.508 (3) |
| Rh1—O1 | 2.0209 (16) | C33—H33A | 0.99 |
| Rh1—O2 | 2.0212 (15) | C33—H33B | 0.99 |
| N32—C31 | 1.450 (3) | C34—H34A | 0.99 |
| N32—C33 | 1.456 (3) | C34—H34B | 0.99 |
| N32—C37 | 1.463 (3) | C36—C37 | 1.499 (3) |
| N52—C51 | 1.455 (3) | C36—H36A | 0.99 |
| N52—C53 | 1.459 (3) | C36—H36B | 0.99 |
| N52—C57 | 1.460 (3) | C37—H37A | 0.99 |
| N72—C71 | 1.454 (3) | C37—H37B | 0.99 |
| N72—C77 | 1.455 (3) | C51—H51A | 0.99 |
| N72—C73 | 1.466 (3) | C51—H51B | 0.99 |
| O1—C2 | 1.310 (3) | C53—C54 | 1.507 (4) |
| O2—C1 | 1.306 (3) | C53—H53A | 0.99 |
| O35—C34 | 1.423 (3) | C53—H53B | 0.99 |
| O35—C36 | 1.431 (3) | C54—H54A | 0.99 |
| O55—C54 | 1.421 (3) | C54—H54B | 0.99 |
| O55—C56 | 1.424 (3) | C56—C57 | 1.506 (4) |
| O75—C76 | 1.419 (3) | C56—H56A | 0.99 |
| O75—C74 | 1.421 (3) | C56—H56B | 0.99 |
| C01—O01 | 1.143 (3) | C57—H57A | 0.99 |
| C02—O02 | 1.138 (3) | C57—H57B | 0.99 |
| C1—C7 | 1.419 (3) | C71—H71A | 0.99 |
| C1—C2 | 1.439 (3) | C71—H71B | 0.99 |
| C2—C3 | 1.408 (3) | C73—C74 | 1.511 (3) |
| C3—C4 | 1.387 (3) | C73—H73A | 0.99 |
| C3—C31 | 1.525 (3) | C73—H73B | 0.99 |
| C4—C5 | 1.390 (3) | C74—H74A | 0.99 |
| C4—H4 | 0.95 | C74—H74B | 0.99 |
| C5—C6 | 1.384 (3) | C76—C77 | 1.515 (3) |
| C5—C51 | 1.519 (3) | C76—H76A | 0.99 |
| C6—C7 | 1.384 (3) | C76—H76B | 0.99 |
| C6—H6 | 0.95 | C77—H77A | 0.99 |
| C7—C71 | 1.511 (3) | C77—H77B | 0.99 |
| C31—H31A | 0.99 | ||
| C01—Rh1—C02 | 91.18 (11) | N32—C37—C36 | 109.8 (2) |
| C01—Rh1—O1 | 172.67 (8) | N32—C37—H37A | 109.7 |
| C02—Rh1—O1 | 95.85 (9) | C36—C37—H37A | 109.7 |
| C01—Rh1—O2 | 93.89 (9) | N32—C37—H37B | 109.7 |
| C02—Rh1—O2 | 174.27 (9) | C36—C37—H37B | 109.7 |
| O1—Rh1—O2 | 79.18 (6) | H37A—C37—H37B | 108.2 |
| C31—N32—C33 | 113.94 (19) | N52—C51—C5 | 112.45 (19) |
| C31—N32—C37 | 112.11 (19) | N52—C51—H51A | 109.1 |
| C33—N32—C37 | 109.3 (2) | C5—C51—H51A | 109.1 |
| C51—N52—C53 | 110.49 (19) | N52—C51—H51B | 109.1 |
| C51—N52—C57 | 110.82 (19) | C5—C51—H51B | 109.1 |
| C53—N52—C57 | 108.7 (2) | H51A—C51—H51B | 107.8 |
| C71—N72—C77 | 112.65 (19) | N52—C53—C54 | 109.8 (2) |
| C71—N72—C73 | 112.05 (18) | N52—C53—H53A | 109.7 |
| C77—N72—C73 | 108.68 (19) | C54—C53—H53A | 109.7 |
| C2—O1—Rh1 | 114.49 (15) | N52—C53—H53B | 109.7 |
| C1—O2—Rh1 | 114.66 (14) | C54—C53—H53B | 109.7 |
| C34—O35—C36 | 111.5 (2) | H53A—C53—H53B | 108.2 |
| C54—O55—C56 | 109.5 (2) | O55—C54—C53 | 111.4 (2) |
| C76—O75—C74 | 110.30 (19) | O55—C54—H54A | 109.3 |
| O01—C01—Rh1 | 174.5 (2) | C53—C54—H54A | 109.3 |
| O02—C02—Rh1 | 177.1 (2) | O55—C54—H54B | 109.3 |
| O2—C1—C7 | 116.2 (2) | C53—C54—H54B | 109.3 |
| O2—C1—C2 | 115.77 (19) | H54A—C54—H54B | 108 |
| C7—C1—C2 | 127.9 (2) | O55—C56—C57 | 110.9 (2) |
| O1—C2—C3 | 116.5 (2) | O55—C56—H56A | 109.5 |
| O1—C2—C1 | 115.8 (2) | C57—C56—H56A | 109.5 |
| C3—C2—C1 | 127.7 (2) | O55—C56—H56B | 109.5 |
| C4—C3—C2 | 127.4 (2) | C57—C56—H56B | 109.5 |
| C4—C3—C31 | 118.6 (2) | H56A—C56—H56B | 108 |
| C2—C3—C31 | 113.90 (19) | N52—C57—C56 | 110.4 (2) |
| C3—C4—C5 | 131.4 (2) | N52—C57—H57A | 109.6 |
| C3—C4—H4 | 114.3 | C56—C57—H57A | 109.6 |
| C5—C4—H4 | 114.3 | N52—C57—H57B | 109.6 |
| C6—C5—C4 | 126.1 (2) | C56—C57—H57B | 109.6 |
| C6—C5—C51 | 116.4 (2) | H57A—C57—H57B | 108.1 |
| C4—C5—C51 | 117.5 (2) | N72—C71—C7 | 114.07 (19) |
| C7—C6—C5 | 131.7 (2) | N72—C71—H71A | 108.7 |
| C7—C6—H6 | 114.2 | C7—C71—H71A | 108.7 |
| C5—C6—H6 | 114.2 | N72—C71—H71B | 108.7 |
| C6—C7—C1 | 126.7 (2) | C7—C71—H71B | 108.7 |
| C6—C7—C71 | 119.2 (2) | H71A—C71—H71B | 107.6 |
| C1—C7—C71 | 114.0 (2) | N72—C73—C74 | 108.80 (19) |
| N32—C31—C3 | 112.75 (19) | N72—C73—H73A | 109.9 |
| N32—C31—H31A | 109 | C74—C73—H73A | 109.9 |
| C3—C31—H31A | 109 | N72—C73—H73B | 109.9 |
| N32—C31—H31B | 109 | C74—C73—H73B | 109.9 |
| C3—C31—H31B | 109 | H73A—C73—H73B | 108.3 |
| H31A—C31—H31B | 107.8 | O75—C74—C73 | 110.8 (2) |
| N32—C33—C34 | 108.66 (19) | O75—C74—H74A | 109.5 |
| N32—C33—H33A | 110 | C73—C74—H74A | 109.5 |
| C34—C33—H33A | 110 | O75—C74—H74B | 109.5 |
| N32—C33—H33B | 110 | C73—C74—H74B | 109.5 |
| C34—C33—H33B | 110 | H74A—C74—H74B | 108.1 |
| H33A—C33—H33B | 108.3 | O75—C76—C77 | 111.6 (2) |
| O35—C34—C33 | 111.7 (2) | O75—C76—H76A | 109.3 |
| O35—C34—H34A | 109.3 | C77—C76—H76A | 109.3 |
| C33—C34—H34A | 109.3 | O75—C76—H76B | 109.3 |
| O35—C34—H34B | 109.3 | C77—C76—H76B | 109.3 |
| C33—C34—H34B | 109.3 | H76A—C76—H76B | 108 |
| H34A—C34—H34B | 107.9 | N72—C77—C76 | 109.4 (2) |
| O35—C36—C37 | 111.1 (2) | N72—C77—H77A | 109.8 |
| O35—C36—H36A | 109.4 | C76—C77—H77A | 109.8 |
| C37—C36—H36A | 109.4 | N72—C77—H77B | 109.8 |
| O35—C36—H36B | 109.4 | C76—C77—H77B | 109.8 |
| C37—C36—H36B | 109.4 | H77A—C77—H77B | 108.3 |
| H36A—C36—H36B | 108 | ||
| C02—Rh1—O1—C2 | 179.63 (15) | C31—N32—C33—C34 | 174.1 (2) |
| O2—Rh1—O1—C2 | −3.26 (14) | C37—N32—C33—C34 | −59.6 (3) |
| C01—Rh1—O2—C1 | −175.31 (16) | C36—O35—C34—C33 | −56.2 (3) |
| O1—Rh1—O2—C1 | 2.28 (15) | N32—C33—C34—O35 | 58.3 (3) |
| Rh1—O2—C1—C7 | −178.22 (15) | C34—O35—C36—C37 | 55.3 (3) |
| Rh1—O2—C1—C2 | −1.0 (2) | C31—N32—C37—C36 | −172.9 (2) |
| Rh1—O1—C2—C3 | −177.12 (15) | C33—N32—C37—C36 | 59.7 (3) |
| Rh1—O1—C2—C1 | 3.7 (2) | O35—C36—C37—N32 | −57.1 (3) |
| O2—C1—C2—O1 | −1.8 (3) | C53—N52—C51—C5 | 68.7 (3) |
| C7—C1—C2—O1 | 175.0 (2) | C57—N52—C51—C5 | −170.8 (2) |
| O2—C1—C2—C3 | 179.1 (2) | C6—C5—C51—N52 | 51.4 (3) |
| C7—C1—C2—C3 | −4.1 (4) | C4—C5—C51—N52 | −128.3 (2) |
| O1—C2—C3—C4 | 176.3 (2) | C51—N52—C53—C54 | 179.0 (2) |
| C1—C2—C3—C4 | −4.7 (4) | C57—N52—C53—C54 | 57.2 (3) |
| O1—C2—C3—C31 | −0.5 (3) | C56—O55—C54—C53 | 59.1 (3) |
| C1—C2—C3—C31 | 178.6 (2) | N52—C53—C54—O55 | −59.1 (3) |
| C2—C3—C4—C5 | 1.8 (4) | C54—O55—C56—C57 | −58.6 (3) |
| C31—C3—C4—C5 | 178.4 (2) | C51—N52—C57—C56 | −179.0 (2) |
| C3—C4—C5—C6 | 6.2 (4) | C53—N52—C57—C56 | −57.4 (3) |
| C3—C4—C5—C51 | −174.1 (2) | O55—C56—C57—N52 | 58.8 (3) |
| C4—C5—C6—C7 | −4.5 (4) | C77—N72—C71—C7 | 159.88 (19) |
| C51—C5—C6—C7 | 175.8 (2) | C73—N72—C71—C7 | −77.2 (2) |
| C5—C6—C7—C1 | −6.5 (4) | C6—C7—C71—N72 | −6.9 (3) |
| C5—C6—C7—C71 | 177.4 (2) | C1—C7—C71—N72 | 176.48 (19) |
| O2—C1—C7—C6 | −171.5 (2) | C71—N72—C73—C74 | 174.7 (2) |
| C2—C1—C7—C6 | 11.7 (4) | C77—N72—C73—C74 | −60.2 (2) |
| O2—C1—C7—C71 | 4.8 (3) | C76—O75—C74—C73 | −58.6 (3) |
| C2—C1—C7—C71 | −172.0 (2) | N72—C73—C74—O75 | 60.3 (3) |
| C33—N32—C31—C3 | −145.6 (2) | C74—O75—C76—C77 | 57.3 (3) |
| C37—N32—C31—C3 | 89.6 (2) | C71—N72—C77—C76 | −176.41 (19) |
| C4—C3—C31—N32 | 9.4 (3) | C73—N72—C77—C76 | 58.8 (2) |
| C2—C3—C31—N32 | −173.6 (2) | O75—C76—C77—N72 | −57.9 (3) |
| H··· | ||||
| C4—H4···N32 | 0.95 | 2.28 | 2.760 (3) | 110 |
| C6—H6···N72 | 0.95 | 2.31 | 2.785 (3) | 110 |
| C36—H36A···O01i | 0.99 | 2.59 | 3.497 (3) | 153 |
| C53—H53A···O55ii | 0.99 | 2.56 | 3.509 (4) | 161 |
Selected bond lengths (Å)
| Rh1—C01 | 1.835 (3) |
| Rh1—C02 | 1.840 (2) |
| Rh1—O1 | 2.0209 (16) |
| Rh1—O2 | 2.0212 (15) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C4—H4⋯N32 | 0.95 | 2.28 | 2.760 (3) | 110 |
| C6—H6⋯N72 | 0.95 | 2.31 | 2.785 (3) | 110 |
| C36—H36 | 0.99 | 2.59 | 3.497 (3) | 153 |
| C53—H53 | 0.99 | 2.56 | 3.509 (4) | 161 |
Symmetry codes: (i) ; (ii) .