Information card for entry 4309444

Structure parameters

• Formula: C29 H31 Cl Cu N4 O4 P
• Calculated formula: C29 H31 Cl Cu N4 O4 P
• SMILES: Cc1cc(C)n2Cn3c(C)cc(C)[n]3[Cu]([n]12)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Mononuclear and Dinuclear Copper(I) Complexes of Bis(3,5-dimethylpyrazol-1-yl)methane: Synthesis, Structure, and Reactivity
• Authors of publication: Chang-Chuan Chou; Chan-Cheng Su; Andrew Yeh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6122 - 6128
• a: 8.3966 ± 0.0005 Å
• b: 10.3157 ± 0.0007 Å
• c: 18.9226 ± 0.0012 Å
• α: 102.178 ± 0.001°
• β: 96.048 ± 0.001°
• γ: 106.382 ± 0.001°
• Cell volume: 1513.15 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1896
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No