Information card for entry 4108179

Structure parameters

• Chemical name: Triphenylphosphamidophenyltris(1-mesitylimidazol-2-ylidene)boratoiron(II).
• Formula: C180 H212 B4 Fe4 N28 P4
• Calculated formula: C180 H212 B4 Fe4 N28 P4
• Title of publication: Structural and Spectroscopic Characterization of an Electrophilic Iron Nitrido Complex
• Authors of publication: Jeremiah J. Scepaniak; Meita D. Fulton; Ranko P. Bontchev; Eileen N. Duesler; Martin L. Kirk; Jeremy M. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10515 - 10517
• a: 14.2125 ± 0.001 Å
• b: 14.4329 ± 0.001 Å
• c: 20.4911 ± 0.0014 Å
• α: 91.653 ± 0.004°
• β: 97.227 ± 0.004°
• γ: 91.83 ± 0.004°
• Cell volume: 4165.5 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No