Information card for entry 4115320

Structure parameters

• Formula: C67 H56 Cl2 Cr Fe6 N6
• Calculated formula: C67 H56 Cl2 Cr Fe6 N6
• Title of publication: First Homoleptic Complexes of Isocyanoferrocene
• Authors of publication: Mikhail V. Barybin; Thomas C. Holovics; Stephan F. Deplazes; Gerald H. Lushington; Douglas R. Powell; Masaharu Toriyama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13668 - 13669
• a: 9.7777 ± 0.0011 Å
• b: 10.6494 ± 0.0012 Å
• c: 14.6628 ± 0.0017 Å
• α: 92.226 ± 0.002°
• β: 95.533 ± 0.002°
• γ: 111.283 ± 0.002°
• Cell volume: 1411.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No