Information card for entry 7032602

Structure parameters

• Formula: C40 H28 N4 Ni
• Calculated formula: C40 H28 N4 Ni
• SMILES: c12C(=c3ccc4=C(c5ccc6=C(c7ccc8C=c(cc1)[n]2[Ni](n34)([n]56)n78)c1ccc(cc1)C)c1ccccc1)c1ccc(cc1)C
• 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: 7.8292 ± 0.0004 Å
• b: 17.6253 ± 0.001 Å
• c: 21.2086 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2926.6 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No