Information card for entry 7018415

Structure parameters

• Formula: C4 H8 Cu N5 O5
• Calculated formula: C4 H8.03 Cu N5 O5
• 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: 7.639 ± 0.002 Å
• b: 8.088 ± 0.002 Å
• c: 8.169 ± 0.002 Å
• α: 67.86 ± 0.003°
• β: 71.56 ± 0.003°
• γ: 84.827 ± 0.003°
• Cell volume: 443.25 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No