Information card for entry 2235121

Structure parameters

• Chemical name: Di-μ-iodido-bis[(dimethyl 2,2'-biquinoline-4,4'-dicarboxylate- κ^2^<i>N</i>,<i>N</i>')copper(I)]
• Formula: C44 H32 Cu2 I2 N4 O8
• Calculated formula: C44 H32 Cu2 I2 N4 O8
• SMILES: c12c3[n](c4c(cccc4)c(c3)C(=O)OC)[Cu]34([n]1c1ccccc1c(c2)C(=O)OC)[I][Cu]14([I]3)[n]2c(c3cc(c4ccccc4[n]13)C(=O)OC)cc(c1ccccc21)C(=O)OC
• Title of publication: Di-μ-iodido-bis[(dimethyl 2,2'-biquinoline-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')copper(I)]
• Authors of publication: Starosta, Radosław; Komarnicka, Urszula K.; Nagaj, Justyna; Stokowa-Sołtys, Kamila; Bykowska, Aleksandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m756 - m757
• a: 8.792 ± 0.003 Å
• b: 9.157 ± 0.003 Å
• c: 12.865 ± 0.004 Å
• α: 96.59 ± 0.03°
• β: 102.49 ± 0.03°
• γ: 103.51 ± 0.03°
• Cell volume: 968.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes