Information card for entry 4089290

Structure parameters

• Formula: C35.5 H28.5 Br Co N3.5 O4.5
• Calculated formula: C35.5 H28.5 Br Co N3.5 O4.5
• Title of publication: Synthesis and Characterization of Alkoxycarbonyl Cobalt Complexes via Direct Carbonylation Methods
• Authors of publication: Chambers, Dana R.; Sullivan, Raymond E.; Martin, David B. C.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1630
• a: 14.0405 ± 0.0005 Å
• b: 8.5418 ± 0.0003 Å
• c: 24.4517 ± 0.0009 Å
• α: 90°
• β: 92.6059 ± 0.0006°
• γ: 90°
• Cell volume: 2929.49 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No