Information card for entry 4503428

Structure parameters

• Formula: C58 H72 Cu2 N16 O14
• Calculated formula: C58 H72 Cu2 N16 O14
• SMILES: c1[n]2cn(Cc3c(Cn4c[n](cc4)[Cu]4([n]5ccn(c5)Cc5ccccc5Cn5c[n]([Cu]62([n]2ccn(Cc7c(Cn8cncc8)cccc7)c2)OC(=O)O6)cc5)([n]2ccn(Cc6c(Cn7cncc7)cccc6)c2)OC(=O)O4)cccc3)c1.O.O.O.O.O.O.O.O
• 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: 8.873 ± 0.006 Å
• b: 9.049 ± 0.004 Å
• c: 19.178 ± 0.01 Å
• α: 90.04 ± 0.04°
• β: 96.74 ± 0.04°
• γ: 94.99 ± 0.04°
• Cell volume: 1523.3 ± 1.5 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: 0.0582
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No