Information card for entry 1517275

Structure parameters

• Chemical name: trans-bis(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate)-bis(N,N'-diphenyl-4- bromobenzamidinate) dirhodium, ethyl acetate 2.5-solvate
• Formula: C96 H84 Br2 N10 O5 Rh2
• Calculated formula: C96 H84 Br2 N10 O5 Rh2
• SMILES: [Rh]1234[Rh]([N](c5ccccc5)=C(N1c1ccccc1)c1ccc(Br)cc1)([N](c1ccccc1)=C(N2c1ccccc1)c1ccc(Br)cc1)(N(c1ccccc1)C(=[N]3c1ccccc1)c1ccc(cc1)c1ccncc1)N(c1ccccc1)C(=[N]4c1ccccc1)c1ccc(cc1)c1ccncc1.O=C(OCC)C.O=C(OCC)C.O=C(OCC)C
• Title of publication: Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer.
• Authors of publication: Chartrand, Daniel; Hanan, Garry S.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 45
• Pages of publication: 10340 - 10352
• a: 13.0797 ± 0.0003 Å
• b: 14.1503 ± 0.0004 Å
• c: 25.3837 ± 0.0007 Å
• α: 88.073 ± 0.0016°
• β: 75.83 ± 0.0012°
• γ: 72.655 ± 0.0012°
• Cell volume: 4344 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No