Information card for entry 4076387

Structure parameters

• Formula: C9 H27 B9 N2
• Calculated formula: C9 H27 B9 N2
• SMILES: N(C(NC(C)C)=C123[BH]456[BH]789[BH]%10%114[BH]4%129[BH]9%138[BH]157[BH]29[BH]14%13[H][BH]1%10%12[CH]36%11)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: 9.19 ± 0.004 Å
• b: 12.995 ± 0.005 Å
• c: 13.616 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1626.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No