Information card for entry 7044433

Structure parameters

• Formula: C46 H31 Cl2 Fe N5 O
• Calculated formula: C46 H31 Cl2 Fe N5 O
• Title of publication: Mechanistic Study of Nitrite Reduction on Iron(II) Complexes of Methylated N-Confused Porphyrins
• Authors of publication: Ching, Wei-Min; Chen, Peter Ping-Yu; Hung, Chen-Hsiung
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.4707 ± 0.0005 Å
• b: 13.0591 ± 0.0006 Å
• c: 14.8946 ± 0.0007 Å
• α: 89.716 ± 0.002°
• β: 75.015 ± 0.002°
• γ: 68.874 ± 0.002°
• Cell volume: 1826.35 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No