Information card for entry 7704864

Structure parameters

• Formula: C42 H46 Cu2 Mn N4 O8
• Calculated formula: C42 H46 Cu2 Mn N4 O8
• Title of publication: Roles of basicity and steric crowding of anionic coligands in catechol oxidase-like activity of Cu(ii)-Mn(ii) complexes.
• Authors of publication: Dutta, Sabarni; Bhunia, Pradip; Mayans, Júlia; Drew, Michael G. B.; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11268 - 11281
• a: 10.3064 ± 0.0015 Å
• b: 11.5974 ± 0.0017 Å
• c: 16.442 ± 0.002 Å
• α: 90°
• β: 93.429 ± 0.003°
• γ: 90°
• Cell volume: 1961.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No