Information card for entry 4322757

Structure parameters

• Common name: Tp^Cum,Me^Zn(PhCat)
• Chemical name: Hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato- zinc-5,6-dioxo-phtalimide]tetramethylammonium
• Formula: C53.75 H72 B N8 O6.75 Zn
• Calculated formula: C53.75 H72 B N8 O6.75 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: 16.623 ± 0.005 Å
• b: 14.197 ± 0.003 Å
• c: 24.602 ± 0.005 Å
• α: 90°
• β: 106.781 ± 0.015°
• γ: 90°
• Cell volume: 5559 ± 2 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No