Information card for entry 1548449

Structure parameters

• Formula: C68.08 H67 Cl2.12 Fe N8 O4
• Calculated formula: C68.08 H67 Cl2.12 Fe N8 O4
• Title of publication: Characterization of the mixed axial ligand complex (4-cyanopyridine)(imidazole)(tetramesitylporphinato)iron(iii) perchlorate. Stabilization by synergic bonding
• Authors of publication: Judith A. Serth-Guzzo; Ilona Turowska-Tyrk; Martin K. Safo; F. Ann Walker; Peter G. Debrunner; W. Robert Scheidt
• Journal of publication: Journal of Porphyrins and Phthalocyanines
• Year of publication: 2016
• Journal volume: 20
• Pages of publication: 254 - 264
• a: 15.4318 ± 0.0012 Å
• b: 20.696 ± 0.002 Å
• c: 19.97 ± 0.005 Å
• α: 90°
• β: 99.256 ± 0.014°
• γ: 90°
• Cell volume: 6294.9 ± 1.8 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1685
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections: 0.2609
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections: 1.051
• 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