Information card for entry 4320671

Structure parameters

• Formula: C48.75 H40.25 B2 Co N12.75 O0.75
• Calculated formula: C48.375 H38 B2 Co N12.375 O0.75
• Title of publication: Hydrotris[3-(1-naphthylpyrazol-1-yl)]borate and Hydrotris[3-(2-naphthylpyrazol-1-yl)]borate: Two Novel Homoscorpionate Ligands of Varying Coordination Behavior
• Authors of publication: A. L. Rheingold; L. M. Liable-Sands; S. Trofimenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6509 - 6513
• a: 15.052 ± 0.001 Å
• b: 15.477 ± 0.002 Å
• c: 19.618 ± 0.002 Å
• α: 81.417 ± 0.008°
• β: 87.803 ± 0.006°
• γ: 77.328 ± 0.007°
• Cell volume: 4408.9 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections: 0.1563
• Weighted residual factors for significantly intense reflections: 0.145
• Goodness-of-fit parameter for all reflections: 1.697
• Goodness-of-fit parameter for significantly intense reflections: 1.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No