Information card for entry 7038891

Structure parameters

• Formula: C40 H44 Cl2 Co3 N4 O4
• Calculated formula: C40 H44 Cl2 Co3 N4 O4
• SMILES: [N]12=C(c3ccccc3[O]3[Co]45678([O]9c%10ccccc%10C(CC)=[N](CC1)[Co]2379[Cl]6)[O]1c2ccccc2C(CC)=[N]2CC[N]3=C(c6ccccc6[O]4[Co]8123[Cl]5)CC)CC
• Title of publication: Bovine serum albumin-cobalt(ii) Schiff base complex hybrid: an efficient artificial metalloenzyme for enantioselective sulfoxidation using hydrogen peroxide.
• Authors of publication: Tang, Jie; Huang, Fuping; Wei, Yi; Bian, Hedong; Zhang, Wei; Liang, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8061 - 8072
• a: 8.327 ± 0.002 Å
• b: 9.764 ± 0.003 Å
• c: 13.148 ± 0.004 Å
• α: 75.049 ± 0.004°
• β: 78.964 ± 0.004°
• γ: 68.16 ± 0.004°
• Cell volume: 953.2 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No