Information card for entry 4129027

Structure parameters

• Formula: C47 H45 Au Cl3 N4 Ni P
• Calculated formula: C47 H45 Au Cl3 N4 Ni P
• Title of publication: Ni(II) 10-Phosphacorrole: A Porphyrin Analogue Containing Phosphorus at the Meso Position.
• Authors of publication: Omori, Hiroto; Hiroto, Satoru; Takeda, Youhei; Fliegl, Heike; Minakata, Satoshi; Shinokubo, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 12
• Pages of publication: 4800 - 4805
• a: 12.7696 ± 0.0006 Å
• b: 13.2248 ± 0.0006 Å
• c: 15.5398 ± 0.0007 Å
• α: 98.656 ± 0.001°
• β: 107.333 ± 0.001°
• γ: 113.731 ± 0.001°
• Cell volume: 2180.75 ± 0.18 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0206
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No