Information card for entry 4322758

Structure parameters

• Common name: [OH)~4~PcNi](OznTp^Cum,Me^)~4~
• Formula: C194 H205 B4 N35 Ni O8 Zn4
• Calculated formula: C194 H205 B4 N35 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: 18.664 ± 0.005 Å
• b: 17.566 ± 0.005 Å
• c: 18.708 ± 0.007 Å
• α: 110.78 ± 0.03°
• β: 116.59 ± 0.03°
• γ: 96.35 ± 0.02°
• Cell volume: 4854 ± 4 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No