Information card for entry 4332864

Structure parameters

• Common name: Cu(dmp)2-CTHA-EtOH
• Formula: C39 H41 Cu N4 O7
• Calculated formula: C39 H41 Cu N4 O7
• SMILES: [Cu]12([n]3c4c5[n]2c(ccc5ccc4ccc3C)C)[n]2c(ccc3ccc4ccc([n]1c4c23)C)C.O=C(O)C1CC(CC(C1)C(=O)O)C(=O)[O-].OCC
• Title of publication: Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different Supramolecular Frameworks
• Authors of publication: Zheng, Shao-Liang; Gembicky, Milan; Messerschmidt, Marc; Dominiak, Paulina M.; Coppens, Philip
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9281 - 9289
• a: 17.8934 ± 0.0008 Å
• b: 18.5392 ± 0.0008 Å
• c: 12.4552 ± 0.0006 Å
• α: 90°
• β: 120.122 ± 0.001°
• γ: 90°
• Cell volume: 3573.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No