Information card for entry 1564445

Structure parameters

• Formula: C114 H184 Co2 K2 N14 O14 S6
• Calculated formula: C114 H184 Co2 K2 N14 O14 S6
• SMILES: [Co]1234[OH2][K]567([O]=S8(=[O][K]9%10([O]=S(=O)(N2CC[N]1(CCN38)CCN4S(=O)(=[O]5)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)([N]#CC)[O]=S(=[O]7)(N1[Co]23([OH2]%10)[N](CCN2S(=[O]6)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)(CC1)CCN3S(=O)(=[O]9)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[N]#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Coordination environment variations in multinuclear trigonal bipyramid Co(II) complexes bearing tetradentate sulfonamide N-donors and phenoxazinone synthase activities
• Authors of publication: Oloyede, Hammed Olawale; Woods, Joseph Anthony Orighomisan; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119664
• a: 14.6938 ± 0.0003 Å
• b: 27.8487 ± 0.0007 Å
• c: 16.7818 ± 0.0004 Å
• α: 90°
• β: 112.488 ± 0.001°
• γ: 90°
• Cell volume: 6345 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No