Information card for entry 7000925

Structure parameters

• Formula: C42 H36 B Cl6 F4 N12 Rh3
• Calculated formula: C42 H36 B Cl6 F4 N12 Rh3
• SMILES: [Rh]1234([Rh]5678[Rh](Cl)([n]9c(N5c5[n]1cccc5)cccc9)([n]1c(N6c5[n]2cccc5)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)[n]1c(N8c2[n]4cccc2)cccc1)Cl.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Further investigations of linear trirhodium complexes: experimental and theoretical studies of [Rh3(dpa)4Cl2] and [Rh3(dpa)4Cl2](BF4) [dpa = bis(2-pyridyl)amido anion]
• Authors of publication: Huang, Gin-Chen; Liu, Isiah Po-Chun; Kuo, Jau-Huei; Huang, Yi-Lin; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2623 - 2629
• a: 11.342 ± 0.0001 Å
• b: 20.8203 ± 0.0002 Å
• c: 20.3194 ± 0.0002 Å
• α: 90°
• β: 93.6192 ± 0.0005°
• γ: 90°
• Cell volume: 4788.73 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No