Information card for entry 7010324

Structure parameters

• Formula: C18 H15 N P2 Se3
• Calculated formula: C18 H15 N P2 Se3
• SMILES: [Se]=P1(N(P([Se]1)(=[Se])c1ccccc1)c1ccccc1)c1ccccc1
• 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: 9.6859 ± 0.0001 Å
• b: 16.2944 ± 0.0003 Å
• c: 13.3506 ± 0.0001 Å
• α: 90°
• β: 108.456 ± 0.001°
• γ: 90°
• Cell volume: 1998.7 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.0634
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No