Information card for entry 7705696

Structure parameters

• Formula: C30 H21 Cu N3 O6
• Calculated formula: C30 H21 Cu N3 O6
• Title of publication: Electrically conductive Cu(II)-based 1D coordination polymer with theoretical insight.
• Authors of publication: Islam, Sakhiul; Das, Pubali; Maiti, Saswati; Khan, Samim; Maity, Suvendu; Ghosh, Prasanta; Jana, Atish Dipankar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15323 - 15331
• a: 25.8018 ± 0.001 Å
• b: 10.0911 ± 0.0003 Å
• c: 20.3821 ± 0.0007 Å
• α: 90°
• β: 92.472 ± 0.002°
• γ: 90°
• Cell volume: 5301.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No