Information card for entry 7034901

Structure parameters

• Formula: C12 H10 Cu4 N6 O12
• Calculated formula: C12 H10 Cu4 N6 O12
• Title of publication: Controlled in situ reaction for the assembly of Cu(ii) mixed-ligand coordination polymers: synthesis, structure, mechanistic insights, magnetism and catalysis.
• Authors of publication: Wang, Xing-Po; Zhao, Ya-Qin; Jagličić, Zvonko; Wang, Su-Na; Lin, Shu-Jie; Li, Xiao-Yi; Sun, Di
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11013 - 11020
• a: 8.105 ± 0.003 Å
• b: 16.969 ± 0.005 Å
• c: 17.666 ± 0.006 Å
• α: 90°
• β: 102.495 ± 0.005°
• γ: 90°
• Cell volume: 2372.1 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No