Information card for entry 4325795

Structure parameters

• Common name: eismc13
• Formula: C48 H41 Cl2 Cu N2 P2
• Calculated formula: C48 H41 Cl2 Cu N2 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)n2cccc2C=[N]1c1ccccc1.C(Cl)Cl
• Title of publication: Synthesis and Characterization of Neutral Luminescent Diphosphine Pyrrole- and Indole-Aldimine Copper(I) Complexes
• Authors of publication: Marco G. Crestani; Gerald F. Manbeck; William W. Brennessel; Theresa M. McCormick; Richard Eisenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7172 - 7188
• a: 10.0778 ± 0.0009 Å
• b: 11.0014 ± 0.001 Å
• c: 19.3258 ± 0.0018 Å
• α: 103.585 ± 0.002°
• β: 91.243 ± 0.002°
• γ: 103.576 ± 0.002°
• Cell volume: 2017.8 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1058
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No