Information card for entry 4343418

Structure parameters

• Common name: [Fe(TMP)(CN)2][K(222)]
• Formula: C39.5 H47 Cl3 Fe0.5 K0.5 N4 O3
• Calculated formula: C39.5 H47 Cl3 Fe0.5 K0.5 N4 O3
• Title of publication: Bis(cyano) Iron(III) Porphyrinates: What Is the Ground State?
• Authors of publication: Li, Jianfeng; Noll, Bruce C.; Schulz, Charles E.; Scheidt, W. Robert
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6472 - 6485
• a: 11.4858 ± 0.0003 Å
• b: 14.0967 ± 0.0004 Å
• c: 26.9709 ± 0.0007 Å
• α: 97.301 ± 0.001°
• β: 90.785 ± 0.001°
• γ: 113.894 ± 0.001°
• Cell volume: 3950.04 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No