Information card for entry 1564444

Structure parameters

• Formula: C106 H172 Co2 N10 Na2 O14 S6
• Calculated formula: C106 H172 Co2 N10 Na2 O14 S6
• SMILES: [Co]1234[OH2][Na]5678[O]9=S(=[O]5)(N4CC[N]1(CCN2S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)CCN3S1(=[O][Na]239([O]=1)[O]8=S(=[O]2)(N1[Co]24([OH2]3)[N](CCN2S(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)(CCN4S(=[O]6)(=[O]7)c2c(cc(cc2C(C)C)C(C)C)C(C)C)CC1)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
• 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: 14.646 ± 0.0003 Å
• b: 15.3244 ± 0.0002 Å
• c: 15.514 ± 0.0003 Å
• α: 66.322 ± 0.001°
• β: 71.005 ± 0.001°
• γ: 69.533 ± 0.001°
• Cell volume: 2917.24 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No