Information card for entry 7063338

Structure parameters

• Formula: C30 H47 Co F6 N5 O P
• Calculated formula: C30 H47 Co F6 N5 O P
• Title of publication: Trans influence of cyanide on the structural and electronic properties of a series of organocobaltIII(TIM) complexes
• Authors of publication: Rodriguez Segura, Leobardo; Ren, Tong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 13030 - 13037
• a: 10.6469 ± 0.0002 Å
• b: 22.5392 ± 0.0005 Å
• c: 14.0575 ± 0.0003 Å
• α: 90°
• β: 96.967 ± 0.001°
• γ: 90°
• Cell volume: 3348.51 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No