Information card for entry 4317761

Structure parameters

• Formula: C32 H36 Cl Fe N4
• Calculated formula: C32 H36 Cl Fe N4
• Title of publication: Five-Coordinate Iron(III) Porphycenes: 1H NMR, Magnetic, and Structural Studies
• Authors of publication: Krystyna Rachlewicz; Lechosław Latos-Grażyński; Emanuel Vogel; Zbigniew Ciunik; Lucjan B. Jerzykiewicz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1979 - 1988
• a: 9.496 ± 0.002 Å
• b: 12.281 ± 0.002 Å
• c: 13.338 ± 0.003 Å
• α: 112.22 ± 0.03°
• β: 97.85 ± 0.03°
• γ: 96.76 ± 0.03°
• Cell volume: 1401.9 ± 0.6 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: 0.0662
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No