Information card for entry 4334135

Structure parameters

• Formula: C64.93 H105 Co I0.07 K N3 O9.93 P3 Zr
• Calculated formula: C64.925 H105 Co I0.075 K N3 O9.925 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: 12.4846 ± 0.0009 Å
• b: 23.8696 ± 0.0016 Å
• c: 24.348 ± 0.0018 Å
• α: 90°
• β: 101.145 ± 0.003°
• γ: 90°
• Cell volume: 7118.9 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections: 0.1305
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No