Information card for entry 7716779

Structure parameters

• Formula: C22 H30 N2 O4
• Calculated formula: C22 H30 N2 O4
• 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: 15.4786 ± 0.0005 Å
• b: 8.6447 ± 0.0003 Å
• c: 7.8443 ± 0.0002 Å
• α: 90°
• β: 92.835 ± 0.001°
• γ: 90°
• Cell volume: 1048.34 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No