Information card for entry 4076389

Structure parameters

• Formula: C27 H41 B9 Cl N2 Ni P
• Calculated formula: C27 H41 B9 Cl N2 Ni P
• SMILES: [Ni]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(Cl)[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%178%11[C]3%16([BH]32%15[BH]2%13%14[BH]59%12[BH]1632)([CH]47%10%17)[C](=[NH+]C(C)C)NC(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: 9.531 ± 0.003 Å
• b: 18.238 ± 0.006 Å
• c: 19.183 ± 0.007 Å
• α: 90°
• β: 103.276 ± 0.004°
• γ: 90°
• Cell volume: 3245.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No