Information card for entry 7016014

Structure parameters

• Formula: C31 H29 Cl3 N6 O
• Calculated formula: C31 H29 Cl3 N6 O
• SMILES: Clc1nc2nc(cc(c2cc1)C)C(c1nc2nc(cc(c2cc1)C)C)=c1[nH]c2nc(cc(c2cc1)C)C.ClCCl.O
• Title of publication: Cu(i) and Pb(ii) complexes containing new tris(7-naphthyridyl)methane derivatives: Synthesis, structures, spectroscopy and geometric conversion.
• Authors of publication: Gan, Xin; Chi, Shao-Ming; Mu, Wei-Hua; Yao, Jia-Can; Quan, Li; Li, Cong; Bian, Zhao-Yong; Chen, Yong; Fu, Wen-Fu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 28
• Pages of publication: 7365 - 7374
• a: 14.215 ± 0.004 Å
• b: 11.089 ± 0.003 Å
• c: 18.409 ± 0.005 Å
• α: 90°
• β: 101.018 ± 0.004°
• γ: 90°
• Cell volume: 2848.3 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No