Information card for entry 4309521

Structure parameters

• Formula: C20 H31 Ga N4
• Calculated formula: C20 H31 Ga N4
• SMILES: [Ga](C#N)(C#N)(C#N)c1c(cc(cc1C)C)C.[N+](CC)(CC)(CC)CC
• Title of publication: Organo-Tricyanoborates as Tectons: Illustrative Coordination Polymers Based on Copper(I) Derivatives
• Authors of publication: Haijun Yao; Matthew L. Kuhlman; Thomas B. Rauchfuss; Scott R. Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6256 - 6264
• a: 10.442 ± 0.002 Å
• b: 15.998 ± 0.004 Å
• c: 25.863 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4320.4 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No