Information card for entry 7037310

Structure parameters

• Formula: C83 H66 Bi Cl6 O8 Rh
• Calculated formula: C81 H62 Bi Cl2 O8 Rh
• SMILES: [Bi]1234[Rh]([Cl]CCl)([O]=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C(O2)C(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=[O]3)C(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=[O]4)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Expanding the family of heterobimetallic Bi-Rh paddlewheel carboxylate complexes via equatorial carboxylate exchange.
• Authors of publication: Sunderland, Travis L.; Berry, John F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 50 - 55
• a: 15.5675 ± 0.0003 Å
• b: 14.3374 ± 0.0003 Å
• c: 35.8081 ± 0.0008 Å
• α: 90°
• β: 100.401 ± 0.0012°
• γ: 90°
• Cell volume: 7860.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No