Information card for entry 7020070

Structure parameters

• Formula: C66 H46 Cl2 Cu N6 O8
• Calculated formula: C67 H50 Cl2 Cu N6 O9
• SMILES: [Cu]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)c1ccc(cc1)c1ccccc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(cc1)c1ccc(cc1)c1ccccc1)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Synthesis, structure and luminescence properties of Cu(ii), Zn(ii) and Cd(ii) complexes with 4'-terphenylterpyridine.
• Authors of publication: Lee, Young Hoon; Kubota, Emi; Fuyuhiro, Akira; Kawata, Satoshi; Harrowfield, Jack M.; Kim, Yang; Hayami, Shinya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10825 - 10831
• a: 21.9482 ± 0.0006 Å
• b: 11.5584 ± 0.0003 Å
• c: 22.0597 ± 0.0007 Å
• α: 90°
• β: 102.347 ± 0.001°
• γ: 90°
• Cell volume: 5466.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No