Information card for entry 4342957

Structure parameters

• Formula: C24 H28 F12 Fe N12 P2
• Calculated formula: C24 H28 F12 Fe N12 P2
• Title of publication: Synthesis and Characterization of an Iron Complex Bearing a Cyclic Tetra-N-heterocyclic Carbene Ligand: An Artifical Heme Analogue?
• Authors of publication: Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Pages of publication: 150406075245005
• a: 20.3963 ± 0.0009 Å
• b: 15.0332 ± 0.0006 Å
• c: 23.273 ± 0.001 Å
• α: 90°
• β: 113.567 ± 0.002°
• γ: 90°
• Cell volume: 6540.8 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No