Information card for entry 4334127

Structure parameters

• Formula: C47.8 H78.6 Cl0.55 Co N3 O1.45 P3 Zr
• Calculated formula: C47.8 H78.6 Cl0.55 Co N3 O1.45 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: 12.1536 ± 0.001 Å
• b: 12.7685 ± 0.0009 Å
• c: 17.6635 ± 0.0014 Å
• α: 96.375 ± 0.004°
• β: 95.645 ± 0.004°
• γ: 94.154 ± 0.003°
• Cell volume: 2701.3 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No