Information card for entry 7230376

Structure parameters

• Formula: C12 H13 Cu N3 O4
• Calculated formula: C12 H13 Cu N3 O4
• Title of publication: Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands
• Authors of publication: Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 17
• Pages of publication: 2455
• a: 7.0214 ± 0.0012 Å
• b: 18.01 ± 0.003 Å
• c: 19.735 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2495.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No