Information card for entry 4334134

Structure parameters

• Formula: C55.5 H96 Co N3 O3 P3 Zr
• Calculated formula: C55.5 H96 Co N3 O3 P3 Zr
• Title of publication: Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex
• Authors of publication: Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3022 - 3031
• a: 12.6171 ± 0.0006 Å
• b: 12.1454 ± 0.0006 Å
• c: 38.0195 ± 0.0016 Å
• α: 90°
• β: 99.102 ± 0.003°
• γ: 90°
• Cell volume: 5752.7 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9509
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No