Information card for entry 7110687

Structure parameters

• Formula: C36 H48 N2 O10 Rh2
• Calculated formula: C36 H48 N2 O10 Rh2
• SMILES: [Rh]1234([Rh]5([O]=C(O1)C(Oc1cc(OC(C)(C)C(=[O]2)O5)ccc1)(C)C)([O]=C(O3)C)(OC(=[O]4)C)[n]1ccc(cc1)C(C)(C)C)[n]1ccc(cc1)C(C)(C)C
• Title of publication: Dinuclear complexes as connectors for carboxylates. Self-assembly of a molecular box
• Authors of publication: Bonar-Law, Richard P.; McGrath, Thomas D.; Singh, Nirmal; Bickley, Jamie F.; Steiner, Alexander
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2457
• a: 31.6 ± 0.004 Å
• b: 31.6 ± 0.004 Å
• c: 12.7 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10983 ± 3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1767
• 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