Information card for entry 7050887

Structure parameters

• Formula: C58 H51 Cu2 O2 P3 Se2
• Calculated formula: C58 H51 Cu2 O2 P3 Se2
• SMILES: [Se]1([Cu]2([Se]([Cu]12[P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C
• 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: 19.4676 ± 0.0002 Å
• b: 14.5399 ± 0.0001 Å
• c: 20.0449 ± 0.0002 Å
• α: 90°
• β: 111.69 ± 0.001°
• γ: 90°
• Cell volume: 5272.12 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No