Information card for entry 7716780

Structure parameters

• Formula: C44 H64 Cl3.7 N4 Ni4 O12
• Calculated formula: C44 H64 Cl3.7 N4 Ni4 O12
• Title of publication: Tetranuclear Ni^II-Mannich base complex with oxygenase, water splitting and ferromagnetic and antiferromagnetic coupling properties.
• Authors of publication: Patra, Arka; Das, Avijit; Sarkar, Abhimanyu; Gómez-García, Carlos J; Sinha, Chittaranjan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 32
• Pages of publication: 13515 - 13528
• a: 13.3672 ± 0.0011 Å
• b: 13.5893 ± 0.0011 Å
• c: 15.9512 ± 0.0013 Å
• α: 90°
• β: 108.786 ± 0.002°
• γ: 90°
• Cell volume: 2743.2 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1233
• 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