Information card for entry 7032605

Structure parameters

• Formula: C87.36 H65.24 Cl9.48 N8 Ni2
• Calculated formula: C87.36 H65.24 Cl9.48 N8 Ni2
• Title of publication: Versatile redox reactivity of triaryl-meso-substituted Ni(ii) porphyrin.
• Authors of publication: Dimé, Abdou K D; Devillers, Charles H.; Cattey, Hélène; Lucas, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14554 - 14564
• a: 10.1031 ± 0.0007 Å
• b: 14.3045 ± 0.0011 Å
• c: 15.535 ± 0.0011 Å
• α: 102.53 ± 0.002°
• β: 108.384 ± 0.002°
• γ: 106.35 ± 0.002°
• Cell volume: 1925.7 ± 0.2 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα~1~
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No