Information card for entry 4504490

Structure parameters

• Formula: C40 H46 Cu N8 O10
• Calculated formula: C40 H46 Cu N8 O10
• SMILES: [Cu]12([n]3c(ccn3Cc3cccc4cccnc34)c3cccc[n]13)([n]1c(ccn1Cc1cccc3cccnc13)c1cccc[n]21)OC(=O)C.C(=O)(C)[O-].O.O.O.O.O.O
• Title of publication: Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications
• Authors of publication: Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 99
• a: 10.513 ± 0.011 Å
• b: 13.875 ± 0.014 Å
• c: 15.776 ± 0.016 Å
• α: 70.98 ± 0.02°
• β: 83.57 ± 0.02°
• γ: 69.665 ± 0.018°
• Cell volume: 2040 ± 4 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: 0.2135
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No