Information card for entry 7018418

Structure parameters

• Formula: C8 H7 Cu N5 O3
• Calculated formula: C8 H7 Cu N5 O3
• Title of publication: Systematic investigations on magneto-structural correlations of copper(ii) coordination polymers based on organic ligands with mixed carboxylic and nitrogen-based moieties.
• Authors of publication: Wriedt, Mario; Zhou, Hong-Cai Joe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4207 - 4216
• a: 7.5502 ± 0.0019 Å
• b: 12.884 ± 0.003 Å
• c: 10.036 ± 0.003 Å
• α: 90°
• β: 98.038 ± 0.003°
• γ: 90°
• Cell volume: 966.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No