Information card for entry 1517274

Structure parameters

• Chemical name: cis-bis(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate)-bis(N,N'-diphenyl-4- bromobenzamidinate) dirhodium, chloroform 2.5-solvate
• Formula: C88.5 H66.5 Br2 Cl7.5 N10 Rh2
• Calculated formula: C88.499 H66.499 Br2 Cl7.497 N10 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.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 13.6685 ± 0.0004 Å
• b: 17.3026 ± 0.0005 Å
• c: 19.4769 ± 0.0006 Å
• α: 73.857 ± 0.002°
• β: 74.732 ± 0.001°
• γ: 79.393 ± 0.001°
• Cell volume: 4237.9 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.1238
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No