Information card for entry 4086593

Structure parameters

• Formula: C52 H43 Co N4 O
• Calculated formula: C52 H43 Co N4 O
• SMILES: [Co]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)C(=O)C(C)C
• Title of publication: Visible Light Photocatalysis of Carbon‒Carbon σ-Bond Anaerobic Oxidation of Ketones with Water by Cobalt(II) Porphyrins
• Authors of publication: Lee, Siu Yin; Fung, Hong Sang; Feng, Shiyu; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2480
• a: 11.1015 ± 0.001 Å
• b: 11.8717 ± 0.0011 Å
• c: 16.5406 ± 0.0014 Å
• α: 82.01 ± 0.002°
• β: 77.176 ± 0.002°
• γ: 84.527 ± 0.002°
• Cell volume: 2100.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No