Information card for entry 7024657

Structure parameters

• Formula: C51 H32 Co N5 O2
• Calculated formula: C51 H32 Co N5 O2
• Title of publication: Intermediate (S = 1) spin state in five-coordinate cobalt(III): magnetic properties of N-o-hydroxy-benzamido-meso-tetraphenylporphyrin cobalt(III), Co(N-NCO(o-O)C6H4-tpp).
• Authors of publication: Cho, Cheng-Hsiung; Chien, Ting-Yuan; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2609 - 2614
• a: 11.0697 ± 0.0003 Å
• b: 13.3945 ± 0.0004 Å
• c: 14.932 ± 0.0005 Å
• α: 81.118 ± 0.003°
• β: 84.516 ± 0.003°
• γ: 83.579 ± 0.003°
• Cell volume: 2166.82 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0997
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No