Information card for entry 7030771

Structure parameters

• Formula: C55.5 H45 Co N4 O1.5
• Calculated formula: C55.5 H45 Co N4 O1.5
• Title of publication: Base-promoted aryl-bromine bond cleavage with cobalt(ii) porphyrins via a halogen atom transfer mechanism.
• Authors of publication: Liu, Chun Ran; Qian, Ying Ying; Chan, Kin Shing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7771 - 7779
• a: 21.671 ± 0.003 Å
• b: 14.9796 ± 0.0019 Å
• c: 16.421 ± 0.002 Å
• α: 90°
• β: 105.867 ± 0.003°
• γ: 90°
• Cell volume: 5127.5 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.3032
• Residual factor for significantly intense reflections: 0.1181
• Weighted residual factors for significantly intense reflections: 0.2926
• Weighted residual factors for all reflections included in the refinement: 0.3901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No