Information card for entry 1566979

Structure parameters

• Formula: C71 H92 Mg2 N4 O6 W
• Calculated formula: C71 H91 Mg2 N4 O6 W
• 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: 35.3464 ± 0.0008 Å
• b: 15.4039 ± 0.0003 Å
• c: 12.869 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7006.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No