Information card for entry 7018416

Structure parameters

• Formula: C6 H4 Cu N6 O2
• Calculated formula: C6 H4 Cu N6 O2
• 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: 5.606 ± 0.003 Å
• b: 6.83 ± 0.004 Å
• c: 11.891 ± 0.007 Å
• α: 90°
• β: 99.379 ± 0.007°
• γ: 90°
• Cell volume: 449.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No