Information card for entry 7003928

Structure parameters

• Formula: C28 H76 B20 Cu2 I2 P4
• Calculated formula: C28 H76 B20 Cu2 I2 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([I][Cu]4([I]2)[P]([C]2567[BH]8%10%12[BH]2%15%14[BH]2%166[BH]6%175[BH]5%18%19[BH]%20%10([BH]%10%12%14[BH]2%12%15[BH]5%10%20[BH]6%16%18%12)[C]78%19%17[P]4(C(C)C)C(C)C)(C(C)C)C(C)C)[P]([C]139%11%13)(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: 24.32 ± 0.02 Å
• b: 14.712 ± 0.01 Å
• c: 7.874 ± 0.005 Å
• α: 90°
• β: 90.227 ± 0.012°
• γ: 90°
• Cell volume: 2817 ± 3 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: 0.1168
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No