Information card for entry 4108113

Structure parameters

• Formula: C19 H31 B9 Ga N
• Calculated formula: C19 H31 B9 Ga N
• SMILES: [Ga]123([N](CC[C]456[BH]789[BH]%10%11%12[BH]%13%147[BH]7%15%10[BH]%10%16%11[BH]48%12[BH]36%16[BH]2%15%10[BH]1%147[CH]59%13)(Cc1ccccc1)Cc1ccccc1)C
• Title of publication: Dicarbollylamine Ligand as a Tunable Template for σ,σ- and π,σ-Bonding Modes: Syntheses, Structures, and Theoretical Studies of η5:η1-Coordinated Constrained-Geometry Group 13 Metal Complexes
• Authors of publication: Jong-Dae Lee; Sung-Kwan Kim; Tae-Jin Kim; Won-Sik Han; Young-Joo Lee; Dae-Hwan Yoo; Minserk Cheong; Jaejung Ko; Sang Ook Kang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9904 - 9917
• a: 11.8146 ± 0.0008 Å
• b: 13.8235 ± 0.001 Å
• c: 13.9164 ± 0.001 Å
• α: 90°
• β: 99.787 ± 0.002°
• γ: 90°
• Cell volume: 2239.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No