Information card for entry 1566980

Structure parameters

• Formula: C67 H91 Mg2 Mn N4 O3
• Calculated formula: C67 H91 Mg2 Mn N4 O3
• Title of publication: Magnesium-stabilised transition metal formyl complexes: structures, bonding, and ethenediolate formation.
• Authors of publication: Parr, Joseph M.; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6592 - 6598
• a: 15.2588 ± 0.0007 Å
• b: 12.9668 ± 0.0005 Å
• c: 35.832 ± 0.003 Å
• α: 90°
• β: 97.903 ± 0.005°
• γ: 90°
• Cell volume: 7022.3 ± 0.7 ų
• Cell temperature: 172.95 ± 0.1 K
• Ambient diffraction temperature: 172.95 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.124
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No