Information card for entry 7700907

Structure parameters

• Formula: C34 H44 Br2 N4 Ni3 O12
• Calculated formula: C34 H44 Br2 N4 Ni3 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: 11.1778 ± 0.0013 Å
• b: 9.5533 ± 0.0011 Å
• c: 19.611 ± 0.002 Å
• α: 90°
• β: 103.854 ± 0.007°
• γ: 90°
• Cell volume: 2033.2 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1904
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No