Information card for entry 7131867

Structure parameters

• Formula: C80.5 H123.5 Ca2 N4 O2 Rh
• Calculated formula: C70 H99 Ca2 N4 O2 Rh
• Title of publication: Calcium-Stabilised Transition Metal Bis(Formyl) Complexes: Structure and Bonding
• Authors of publication: Parr, Joseph; White, Andrew J. P.; Crimmin, Mark Richard
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 14.1756 ± 0.0005 Å
• b: 14.8989 ± 0.0006 Å
• c: 36.7539 ± 0.0013 Å
• α: 90°
• β: 97.759 ± 0.003°
• γ: 90°
• Cell volume: 7691.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2409
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No