Information card for entry 4301302

Structure parameters

• Common name: [Fe(TPP)(NO]
• Formula: C44 H28 Fe N5 O
• Calculated formula: C44 H28 Fe N5 O
• Title of publication: Tetragonal to Triclinic-A Phase Change for [Fe(TPP)(NO)]
• Authors of publication: Nathan J. Silvernail; Marilyn M. Olmstead; Bruce C. Noll
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 971 - 977
• a: 9.765 ± 0.002 Å
• b: 10.12 ± 0.002 Å
• c: 10.466 ± 0.002 Å
• α: 81.35 ± 0.02°
• β: 65.23 ± 0.02°
• γ: 68.12 ± 0.02°
• Cell volume: 871.4 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1034
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No