Information card for entry 1519134

Structure parameters

• Formula: C22 H21 Fe I N2
• Calculated formula: C22 H21 Fe I N2
• Title of publication: C22H21FeIN2
• Authors of publication: Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1994
• Pages of publication: 1018
• a: 10.928 ± 0.006 Å
• b: 9.691 ± 0.003 Å
• c: 19.208 ± 0.009 Å
• α: 90°
• β: 93.89 ± 0.03°
• γ: 90°
• Cell volume: 2029.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No