Information card for entry 4347220

Structure parameters

• Formula: C110 H130 Br2 Fe2 O5
• Calculated formula: C110 H130 Br2 Fe2 O5
• Title of publication: Pentaarylcyclopentadienyl Iron, Cobalt, and Nickel Halides.
• Authors of publication: Chakraborty, Uttam; Modl, Moritz; Mühldorf, Bernd; Bodensteiner, Michael; Demeshko, Serhiy; van Velzen, Niels J. C.; Scheer, Manfred; Harder, Sjoerd; Wolf, Robert
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3065 - 3074
• a: 14.336 ± 0.0003 Å
• b: 14.4049 ± 0.0003 Å
• c: 25.3801 ± 0.0004 Å
• α: 76.5352 ± 0.0014°
• β: 78.48 ± 0.0014°
• γ: 65.626 ± 0.0019°
• Cell volume: 4610.97 ± 0.17 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No