Information card for entry 4334130

Structure parameters

• Formula: C58 H99 Co Li N3 O5 P3 Zr
• Calculated formula: C58 H99 Co Li N3 O5 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: 12.7292 ± 0.0003 Å
• b: 13.7969 ± 0.0004 Å
• c: 19.1839 ± 0.0005 Å
• α: 89.695 ± 0.001°
• β: 87.644 ± 0.001°
• γ: 64.212 ± 0.001°
• Cell volume: 3030.75 ± 0.14 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: 0.0515
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9608
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No