Information card for entry 2202319

Structure parameters

• Formula: C12 H10 Ni2 O2
• Calculated formula: C12 H10 Ni2 O2
• Title of publication: Low temperature redetermination of the structure of [Ni(CO)(η^5^-C~5~H~5~)]~2~
• Authors of publication: Evans, Cameron; Farrugia, Louis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m510 - m511
• a: 7.7498 ± 0.0001 Å
• b: 10.8752 ± 0.0001 Å
• c: 13.4942 ± 0.0002 Å
• α: 76.776 ± 0.001°
• β: 81.112 ± 0.001°
• γ: 78.449 ± 0.001°
• Cell volume: 1077.65 ± 0.02 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 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: 0.027
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes