Information card for entry 4503436

Structure parameters

• Formula: C58 H62 Cu2 N12 O14
• Calculated formula: C58 H50 Cu2 N12 O14
• Title of publication: A Series of Cu(II) Complexes Based on Different Bis(imidazole) Ligands and Organic Acids: Formation of Water Clusters and Fixation of Atmospheric Carbon Dioxide
• Authors of publication: Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 4383
• a: 8.6401 ± 0.0017 Å
• b: 13.569 ± 0.003 Å
• c: 13.734 ± 0.003 Å
• α: 82.65 ± 0.03°
• β: 71.95 ± 0.03°
• γ: 89.35 ± 0.03°
• Cell volume: 1517.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1564
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No