Information card for entry 7236235

Structure parameters

• Formula: C34 H32 Cu3 N6 O10
• Calculated formula: C34 H32 Cu3 N6 O10
• Title of publication: A rare doubly nitrato and phenoxido bridged trimetallic CuII complex: EPR, antiferromagnetic coupling and theoretical rationalization
• Authors of publication: Datta, Amitabha; Das, Kuheli; Mane, Sandeep B.; Mendiratta, Shruti; El Fallah, Mohamed Salah; Garribba, Eugenio; Bauzá, Antonio; Frontera, Antonio; Hung, Chen-Hsiung; Sinha, Chittaranjan
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 60
• Pages of publication: 54856
• a: 8.8854 ± 0.0004 Å
• b: 11.6472 ± 0.0005 Å
• c: 16.093 ± 0.0006 Å
• α: 90°
• β: 101.034 ± 0.002°
• γ: 90°
• Cell volume: 1634.68 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No