Information card for entry 1566984

Structure parameters

• Formula: C67 H90 Cr Mg2 N4 O3
• Calculated formula: C67 H90 Cr Mg2 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: 15.3628 ± 0.0002 Å
• b: 12.9497 ± 0.0002 Å
• c: 35.885 ± 0.0006 Å
• α: 90°
• β: 99.436 ± 0.002°
• γ: 90°
• Cell volume: 7042.5 ± 0.19 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 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: 0.0724
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No