Information card for entry 4076383

Structure parameters

• Formula: C18 H50 B20 N4 Ni
• Calculated formula: C18 H50 B20 N4 Ni
• SMILES: [Ni]12([N](=C(NC(C)C)[C]3456[BH]789[BH]%10%11%12[BH]%13%14%15[BH]%163([BH]3%174[BH]457[BH]58%10[BH]7%11%13[BH]%14%163[BH]%17457)[C]169%12%15)C(C)C)[N](=C(NC(C)C)[C]1345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%151([BH]1%163[BH]346[BH]479[BH]6%10%12[BH]%13%151[BH]%16346)[C]258%11%14)C(C)C
• 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: 14.7384 ± 0.0015 Å
• b: 13.0987 ± 0.0013 Å
• c: 19.264 ± 0.002 Å
• α: 90°
• β: 108.937 ± 0.002°
• γ: 90°
• Cell volume: 3517.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No