Information card for entry 4310846

Structure parameters

• Formula: C31 H50 B N3
• Calculated formula: C31 H50 B N3
• SMILES: N(c1c(cccc1C(C)C)C(C)C)[B]1([N](=C(N1C(C)(C)C)CCCC)C(C)(C)C)c1ccccc1
• Title of publication: Synthetic and Structural Investigations of Monomeric Dilithium Boraamidinates and Bidentate NBNCN Ligands with Bulky N-Bonded Groups
• Authors of publication: T. Chivers; C. Fedorchuk; M. Parvez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2643 - 2653
• a: 10.634 ± 0.007 Å
• b: 9.724 ± 0.007 Å
• c: 14.733 ± 0.013 Å
• α: 90°
• β: 99.06 ± 0.03°
• γ: 90°
• Cell volume: 1504 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No