Information card for entry 7062015

Structure parameters

• Formula: C48 H56 Mn N6 Ni2 O8 S2
• Calculated formula: C47.9999 H55.9997 Mn N6 Ni2 O8 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: 11.3701 ± 0.0011 Å
• b: 11.5248 ± 0.0011 Å
• c: 21.086 ± 0.002 Å
• α: 93.6113 ± 0.0013°
• β: 96.2193 ± 0.0013°
• γ: 112.954 ± 0.0013°
• Cell volume: 2512.5 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No