Information card for entry 4344866

Structure parameters

• Chemical name: unk
• Formula: C36 H47 Cu N2 O2
• Calculated formula: C36 H47 Cu N2 O2
• SMILES: [Cu]123Oc4c(C=[N]2Cc2c(cccc2)N3c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C
• Title of publication: Effect of Geometrical Distortion on the Electronic Structure: Synthesis and Characterization of Monoradical-Coordinated Mononuclear Cu(II) Complexes.
• Authors of publication: Ghorai, Samir; Sarmah, Amrit; Roy, Ram Kinkar; Tiwari, Archana; Mukherjee, Chandan
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1370 - 1380
• a: 28.094 ± 0.004 Å
• b: 13.778 ± 0.002 Å
• c: 19.626 ± 0.003 Å
• α: 90°
• β: 114.714 ± 0.007°
• γ: 90°
• Cell volume: 6901 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No