Information card for entry 7010322

Structure parameters

• Formula: C12 H10 P2 Se4
• Calculated formula: C12 H10 P2 Se4
• SMILES: [Se]1P(c2ccccc2)([Se]P1(c1ccccc1)=[Se])=[Se]
• Title of publication: Heterocycle formation using [PhP(Se)(μ-Se)]2. The crystal structures of [PhP(Se)(μ-Se)]2, PhP(Se)Se2(C7H10) and PhP(Se)(μ-Se)(μ-NPh)P(Se)Ph
• Authors of publication: Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 300
• a: 9.5224 ± 0.0004 Å
• b: 7.3091 ± 0.0005 Å
• c: 11.3341 ± 0.0008 Å
• α: 90°
• β: 96.213 ± 0.003°
• γ: 90°
• Cell volume: 784.22 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1493
• Weighted residual factors for significantly intense reflections: 0.1132
• Goodness-of-fit parameter for all reflections: 0.868
• Goodness-of-fit parameter for significantly intense reflections: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No