Information card for entry 7047601

Structure parameters

• Formula: C30 H30 Cl Mn N4 O2
• Calculated formula: C30 H30 Cl Mn N4 O2
• Title of publication: Exploring (bio)catalytic activities of structurally characterised Cu(ii) and Mn(iii) complexes: histidine recognition and photocatalytic application of Cu(ii) complex and derived CuO nano-cubes.
• Authors of publication: Kumari, Babli; Kundu, Samapti; Ghosh, Kajari; Banerjee, Mahuya; Pradhan, Swapan Kumar; Islam, Sk Manirul; Brandão, Paula; Félix, Vítor; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 14008 - 14016
• a: 9.4779 ± 0.0008 Å
• b: 19.2235 ± 0.0017 Å
• c: 28.921 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5269.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No