Information card for entry 4347226

Structure parameters

• Formula: C55 H65 I2 Ni
• Calculated formula: C55 H65 I2 Ni
• 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: 14.11866 ± 0.00012 Å
• b: 25.8867 ± 0.0002 Å
• c: 13.67535 ± 0.00012 Å
• α: 90°
• β: 102.55 ± 0.0009°
• γ: 90°
• Cell volume: 4878.72 ± 0.07 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No