Information card for entry 4347221

Structure parameters

• Formula: C97 H98 Br2 Fe2
• Calculated formula: C97 H98 Br2 Fe2
• 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: 12.4894 ± 0.0005 Å
• b: 13.938 ± 0.0008 Å
• c: 14.1966 ± 0.0006 Å
• α: 92.656 ± 0.004°
• β: 114.368 ± 0.004°
• γ: 116.014 ± 0.005°
• Cell volume: 1943.5 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No