Information card for entry 7704865

Structure parameters

• Formula: C41 H50.5 Cu2 Mn N6 O11.5
• Calculated formula: C41 H50.5 Cu2 Mn N6 O11.5
• 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: 11.0088 ± 0.0006 Å
• b: 11.5219 ± 0.0007 Å
• c: 19.5333 ± 0.0012 Å
• α: 94.18 ± 0.002°
• β: 94.333 ± 0.002°
• γ: 117.861 ± 0.002°
• Cell volume: 2167.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0815
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No