Information card for entry 4322756

Structure parameters

• Common name: Tp^Cum,Me^Zn(HphCat)
• Chemical name: Hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato-zinc- 5-hydroxy-6-oxo-phtalimide
• Formula: C49.5 H56 B Cl3 N7 O5 Zn
• Calculated formula: C49.5 H56 B Cl3 N7 O5 Zn
• Title of publication: Silicon and Zinc Coordination to Peripheral Catechol Sites of (2,3,9,10,16,17,23,24-Octahydroxyphthalocyaninato)nickel(II). Phthalocyanine Coordination Chemistry at the Edge
• Authors of publication: Michael Ruf; Andrew M. Lawrence; Bruce C. Noll; Cortlandt G. Pierpont
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1992 - 1999
• a: 21.043 ± 0.002 Å
• b: 16.378 ± 0.002 Å
• c: 29.347 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10114 ± 2 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections: 0.1585
• Weighted residual factors for significantly intense reflections: 0.1377
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No