Information card for entry 1519201

Structure parameters

• Formula: C27 H22 Br Fe1.5 Si
• Calculated formula: C27 H22 Br Fe1.5 Si
• Title of publication: C27H22BrFe1.50Si
• Authors of publication: Butler, Ian R.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1998
• Pages of publication: 754
• a: 13.275 ± 0.003 Å
• b: 10.233 ± 0.002 Å
• c: 17.999 ± 0.004 Å
• α: 90°
• β: 111.6 ± 0.03°
• γ: 90°
• Cell volume: 2273.3 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections: 0.2543
• Weighted residual factors for significantly intense reflections: 0.2186
• Goodness-of-fit parameter for all reflections: 0.965
• Goodness-of-fit parameter for significantly intense reflections: 1.206
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No