Information card for entry 7032604

Structure parameters

• Formula: C58 H42 F6 N4 Ni P2
• Calculated formula: C58 H42 F6 N4 Ni P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Ni]123n4c5=C([P+](c6ccccc6)(c6ccccc6)c6ccccc6)c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)C)cc2)c1ccccc1)cc3)c1ccc(cc1)C)cc6
• 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: 9.3136 ± 0.0004 Å
• b: 15.5847 ± 0.0006 Å
• c: 16.259 ± 0.0007 Å
• α: 87.634 ± 0.002°
• β: 83.678 ± 0.002°
• γ: 84.35 ± 0.002°
• Cell volume: 2333.14 ± 0.17 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No