Information card for entry 7010256

Structure parameters

• Formula: C46 H54 Br4 N2 O12 Rh2
• Calculated formula: C46 H54 Br4 N2 O12 Rh2
• SMILES: C12C(C)(C)Oc3c(Br)cc(c(OC(C4=[O][Rh]56([n]7ccc(C(C)(C)C)cc7)(O1)[O]=C1C(C)(C)Oc7c(Br)cc(Br)c(OC(C(=[O][Rh]6([n]6ccc(C(C)(C)C)cc6)([O]=2)(O1)O4)O5)(C)C)c7)(C)C)c3)Br
• Title of publication: Dirhodium(II) carboxylates as building blocks. Synthesis and structures of cis-chelate complexes
• Authors of publication: Bonar-Law, Richard P.; McGrath, Thomas D.; Singh, Nirmal; Bickley, Jamie F.; Femoni, Cristina; Steiner, Alexander
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4343
• a: 15.1607 ± 0.0018 Å
• b: 9.3522 ± 0.0009 Å
• c: 19.047 ± 0.002 Å
• α: 90°
• β: 98.727 ± 0.014°
• γ: 90°
• Cell volume: 2669.3 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.0829
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No