Information card for entry 7050886

Structure parameters

• Formula: C70 H59 Cu2 O2 P3 Se2
• Calculated formula: C70 H59 Cu2 O2 P3 Se2
• SMILES: [Cu]12([Cu]([Se]1C(=O)c1ccc(cc1)C)([Se]2C(=O)c1ccc(cc1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structural characterization, photoluminescence and thermal properties of [(Ph3P)2Cu(??-SeC{O}R)2Cu(PPh3)]Electronic supplementary information (ESI) available: XRPD patterns and SEM images of the residues from pyrolysis of 1???6. See http://www.rsc.org/suppdata/nj/b2/b203466b/
• Authors of publication: Lu, Zheng; Huang, Wei; Vittal, Jagadese J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 1122
• a: 10.8966 ± 0.0001 Å
• b: 12.9988 ± 0.0002 Å
• c: 22.3564 ± 0.0003 Å
• α: 90.883 ± 0.001°
• β: 101.145 ± 0.001°
• γ: 99.031 ± 0.001°
• Cell volume: 3064.97 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No