Information card for entry 4301303

Structure parameters

• Common name: [Fe(TPP)(NO)]
• Formula: C44 H28 Fe N5 O
• Calculated formula: C44 H28 Fe N5 O1.04
• 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: 13.4152 ± 0.0002 Å
• b: 13.4152 ± 0.0002 Å
• c: 9.7151 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1748.4 ± 0.07 ų
• Cell temperature: 272 ± 2 K
• Ambient diffraction temperature: 272 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No