Information card for entry 7126893

Structure parameters

• Formula: C136 H134 B2 Co4 F48 N14 P2
• Calculated formula: C136 H134 B2 Co4 F48 N14 P2
• Title of publication: Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.
• Authors of publication: Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 67
• Pages of publication: 9675 - 9678
• a: 10.4664 ± 0.0006 Å
• b: 35.353 ± 0.002 Å
• c: 39.212 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14509.2 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No