Information card for entry 4313360

Structure parameters

• Formula: C28 H46 B2 Cl2 Ga2 N4
• Calculated formula: C28 H46 B2 Cl2 Ga2 N4
• SMILES: CC([N]12[Ga](Cl)([N]3(B(c4ccccc4)N(C(C)(C)C)[Ga]23Cl)C(C)(C)C)N(B1c1ccccc1)C(C)(C)C)(C)C
• Title of publication: Syntheses and X-ray Structures of Monocyclic, Bicyclic, and Spirocyclic Gallium and Indium Boraamidinates
• Authors of publication: Tristram Chivers; Chantall Fedorchuk; Gabriele Schatte; Masood Parvez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2084 - 2093
• a: 10.0624 ± 0.0002 Å
• b: 13.6143 ± 0.0003 Å
• c: 12.1416 ± 0.0003 Å
• α: 90°
• β: 104.38 ± 0.001°
• γ: 90°
• Cell volume: 1611.2 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No