Information card for entry 7056808

Structure parameters

• Common name: S130
• Formula: C34 H38 Cu2 N6 O4
• Calculated formula: C34 H38 Cu2 N6 O4
• SMILES: [Cu]12(Oc3c(C(=[N]2CC[NH]1CC)C)c1c(cc3)cccc1)N=C=O
• Title of publication: End-on cyanate or end-to-end thiocyanate bridged dinuclear copper(ii) complexes with a tridentate Schiff base blocking ligand: synthesis, structure and magnetic studies
• Authors of publication: Khan, Samim; Sproules, Stephen; Natrajan, Louise S.; Harms, Klaus; Chattopadhyay, Shouvik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 1634
• a: 11.4708 ± 0.0006 Å
• b: 14.4673 ± 0.0007 Å
• c: 9.4198 ± 0.0005 Å
• α: 90°
• β: 98.641 ± 0.002°
• γ: 90°
• Cell volume: 1545.49 ± 0.14 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: 0.0231
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No