Information card for entry 4076384

Structure parameters

• Formula: C30 H66 B20 N4 Ni
• Calculated formula: C30 H66 B20 N4 Ni
• SMILES: [Ni]12([N](=C(NC3CCCCC3)[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)C1CCCCC1)[N](=C(NC1CCCCC1)[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)C1CCCCC1
• 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: 21.703 ± 0.007 Å
• b: 12.238 ± 0.004 Å
• c: 19.483 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5175 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No