Information card for entry 7230169

Structure parameters

• Formula: C42 H48 Cl2 Cu2 Fe N4 O14
• Calculated formula: C42 H48 Cl2 Cu2 Fe N4 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: 16.0994 ± 0.0012 Å
• b: 12.1164 ± 0.0009 Å
• c: 24.2086 ± 0.0018 Å
• α: 90°
• β: 107.775 ± 0.002°
• γ: 90°
• Cell volume: 4496.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No