Information card for entry 7003929

Structure parameters

• Formula: C28 H76 B20 Br2 Cu2 P4
• Calculated formula: C28 H76 B20 Br2 Cu2 P4
• SMILES: [BH]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%15%161[BH]1%17%12[BH]25([BH]7%161[BH]68%10%15)[C]14%14%17[P]([Cu]2([P]([C]139%11%13)(C(C)C)C(C)C)[Br][Cu]1([Br]2)[P]([C]2345[BH]678[BH]9%103[BH]3%114[BH]4%125[BH]5%13%14[BH]%156([BH]679[BH]7%103[BH]5%156[BH]%114%137)[C]28%12%14[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Self-assembled 2D supramolecular networks of copper(i) carborane complexes through C‒H⋯H‒B dihydrogen bonding interactions
• Authors of publication: Dou, Jianmin; Su, Fangfang; Nie, Yong; Li, Dacheng; Wang, Daqi
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 31
• Pages of publication: 4152 - 4156
• a: 23.952 ± 0.01 Å
• b: 14.614 ± 0.005 Å
• c: 7.859 ± 0.005 Å
• α: 90°
• β: 90.65 ± 0.02°
• γ: 90°
• Cell volume: 2751 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1553
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.2644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No