Information card for entry 7038947

Structure parameters

• Chemical name: compound 8
• Formula: C74 H98 Cr O12
• Calculated formula: C73.65 H78 Cr O10.1
• Title of publication: Synthesis of a mononuclear, non-square-planar chromium(ii) bis(alkoxide) complex and its reactivity toward organic carbonyls and CO2.
• Authors of publication: Yousif, Maryam; Cabelof, Alyssa C.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9794 - 9804
• a: 13.8974 ± 0.0015 Å
• b: 16.8586 ± 0.0018 Å
• c: 28.648 ± 0.004 Å
• α: 78.612 ± 0.006°
• β: 85.689 ± 0.006°
• γ: 76.473 ± 0.005°
• Cell volume: 6394.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.206
• Residual factor for significantly intense reflections: 0.155
• Weighted residual factors for significantly intense reflections: 0.3732
• Weighted residual factors for all reflections included in the refinement: 0.4095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No