Information card for entry 4084337

Structure parameters

• Formula: C46 H41 Co F8 N P4
• Calculated formula: C46 H41.001 Co F7.999 N P4
• Title of publication: Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles
• Authors of publication: Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5440
• a: 14.5081 ± 0.0003 Å
• b: 14.9988 ± 0.0003 Å
• c: 19.7361 ± 0.0004 Å
• α: 90°
• β: 100.09 ± 0.001°
• γ: 90°
• Cell volume: 4228.23 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1204
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No