Information card for entry 4076385

Structure parameters

• Formula: C18 H50 B20 Cu N4
• Calculated formula: C18 H50 B20 Cu N4
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[C]%172%12([C]158%11[Cu]1([N](=C%17NC(C)C)C(C)C)[C]258%11[BH]%12%17%18[BH]%19%202[BH]2%215[BH]5%228[BH]8%23%24[BH]%25%12([BH]%12%17%19[BH]%17%202[BH]%21%22%23[BH]%24%25%12%17)[C]%11%1858C(=[N]1C(C)C)NC(C)C)[BH]13%15[BH]246[BH]37%10[BH]9%13%14[BH]%16123
• Title of publication: Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives
• Authors of publication: Yao, Zi-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1767
• a: 13.682 ± 0.009 Å
• b: 8.324 ± 0.005 Å
• c: 15.107 ± 0.01 Å
• α: 90°
• β: 101.544 ± 0.009°
• γ: 90°
• Cell volume: 1685.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1709
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No