Information card for entry 4343420

Structure parameters

• Common name: [K(K222)][Fe(TPP)(CN)2]
• Formula: C67.5 H71 Cl7 Fe K N8 O6
• Calculated formula: C67.5 H71 Cl7 Fe K N8 O6
• 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: 14.0118 ± 0.0007 Å
• b: 14.3881 ± 0.0007 Å
• c: 18.9426 ± 0.0009 Å
• α: 69.834 ± 0.002°
• β: 73.549 ± 0.002°
• γ: 80.577 ± 0.002°
• Cell volume: 3428.8 ± 0.3 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: 0.067
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No