Information card for entry 7062014

Structure parameters

• Formula: C48 H54 Co2 N6 Ni2 O12 S2
• Calculated formula: C48 H54 Co2 N6 Ni2 O12 S2
• Title of publication: Synthesis and crystal structures of two tri- and tetra-heterometallic Ni(ii)–Mn(ii)/Ni(ii)–Co(iii) complexes from two different Ni(ii)-containing metalloligands: effective catalytic oxidase activity and Schottky device approach
• Authors of publication: Das, Manik; Das, Mainak; Ray, Subham; Das, Uttam Kumar; Laha, Soumik; Ray, Partha Pratim; Samanta, Bidhan Chandra; Maity, Tithi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 44
• Pages of publication: 21103 - 21114
• a: 11.967 ± 0.003 Å
• b: 20.063 ± 0.004 Å
• c: 23.56 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5657 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No