Information card for entry 4086250

Structure parameters

• Formula: C88 H88 B2 Fe2 K2 N12 O4
• Calculated formula: C88 H88 B2 Fe2 K2 N12 O4
• Title of publication: Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand
• Authors of publication: Hickey, Anne K.; Chen, Chun-Hsing; Pink, Maren; Smith, Jeremy M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4560
• a: 12.1967 ± 0.0004 Å
• b: 13.3189 ± 0.0005 Å
• c: 14.1835 ± 0.0007 Å
• α: 70.683 ± 0.002°
• β: 64.984 ± 0.003°
• γ: 73.397 ± 0.002°
• Cell volume: 1941.5 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0713
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9484
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No