Information card for entry 7700906

Structure parameters

• Formula: C34 H44 Br2 Co3 N4 O12
• Calculated formula: C34 H44 Br2 Co3 N4 O12
• Title of publication: Exploration of catecholase-like activity of a series of magnetically coupled transition metal complexes of Mn, Co and Ni: new insights into the solution state behavior of Mn complexes.
• Authors of publication: Sarkar, Abani; Chakraborty, Aratrika; Adhikary, Amit; Maity, Suvendu; Mandal, Arnab; Samanta, Debabrata; Ghosh, Prasanta; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14164 - 14177
• a: 11.4288 ± 0.0016 Å
• b: 9.4698 ± 0.0013 Å
• c: 19.605 ± 0.003 Å
• α: 90°
• β: 105.643 ± 0.003°
• γ: 90°
• Cell volume: 2043.2 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No