Information card for entry 7052770

Structure parameters

• Formula: C70 H70 Cl2 Cu2 N8 O10 P2
• Calculated formula: C70 H70 Cl2 Cu2 N8 O10 P2
• SMILES: c1(ccccc1)[P](c1ccccc1)([Cu]1[n]2c(ccc3ccc4ccc([n]1c4c23)C)C)CNc1cccc2c(cccc12)NC[P](c1ccccc1)(c1ccccc1)[Cu]1[n]2c(ccc3ccc4ccc([n]1c4c23)C)C.N(C)(C)C=O.[O-]Cl(=O)(=O)=O.N(C)(C)C=O.[O-]Cl(=O)(=O)=O
• Title of publication: Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π–π stacking interactions
• Authors of publication: Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 2471
• a: 11.155 ± 0.002 Å
• b: 11.249 ± 0.002 Å
• c: 15.696 ± 0.001 Å
• α: 84.503 ± 0.001°
• β: 75.887 ± 0.006°
• γ: 60.284 ± 0.004°
• Cell volume: 1658.2 ± 0.4 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: 0.1825
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No