Information card for entry 4322759

Structure parameters

• Chemical name: Tetrakis[hydrotris(3-cumenyl-5-methyl-pyrazol-1-yl)borato-zink(II)- 2,9,16,23-tetraoxo-3,10,17,24-tetrahydroxo-phtaloocyaninatonickel(II)
• Formula: C199 H213.5 B4 Cl4 N36.5 Ni O8 Zn4
• Calculated formula: C199 H213.5 B4 Cl4 N36.5 Ni O8 Zn4
• 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: 18.099 ± 0.003 Å
• b: 18.415 ± 0.004 Å
• c: 18.466 ± 0.003 Å
• α: 108.238 ± 0.009°
• β: 116.276 ± 0.008°
• γ: 95.711 ± 0.008°
• Cell volume: 5032.5 ± 1.7 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1825
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for all reflections: 0.3601
• Weighted residual factors for significantly intense reflections: 0.2936
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No