Information card for entry 4338479

Structure parameters

• Formula: C29.5 H33 B N7 Ni O2.5
• Calculated formula: C29.5 H33 B N7 Ni O2.5
• Title of publication: Structure and Spectroscopic Properties of Nickel Benzazolate Complexes with Hydrotris(pyrazolyl)borate Ligand.
• Authors of publication: López-Banet, Luisa; Santana, M. Dolores; Piernas, María José; García, Gabriel; Cerezo, Javier; Requena, Alberto; Zúñiga, José; Pérez, José; García, Luís
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5502 - 5514
• a: 11.1853 ± 0.0013 Å
• b: 11.2043 ± 0.0013 Å
• c: 13.4087 ± 0.0015 Å
• α: 66.678 ± 0.002°
• β: 68.761 ± 0.002°
• γ: 74.156 ± 0.002°
• Cell volume: 1421.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.52
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No