Information card for entry 4310841

Structure parameters

• Formula: C62 H87 B2 N4 O0.5
• Calculated formula: C62 H82 B2 N4 O0.5
• 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: 11.092 ± 0.002 Å
• b: 15.078 ± 0.002 Å
• c: 19.185 ± 0.003 Å
• α: 67.634 ± 0.006°
• β: 88.134 ± 0.006°
• γ: 82.276 ± 0.009°
• Cell volume: 2939.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No