Information card for entry 7230172

Structure parameters

• Formula: C40 H44 Cl2 Cu2 N4 Ni O14
• Calculated formula: C40 H44 Cl2 Cu2 N4 Ni O14
• Title of publication: Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)
• Authors of publication: Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 7315
• a: 10.9788 ± 0.0006 Å
• b: 23.9304 ± 0.0013 Å
• c: 18.3403 ± 0.001 Å
• α: 90°
• β: 91.497 ± 0.002°
• γ: 90°
• Cell volume: 4816.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No