Information card for entry 7010912

Structure parameters

• Formula: C51 H51 Ag Br N2 O1.5 P4 Se2
• Calculated formula: C51 H51 Ag Br N2 O1.5 P4 Se2
• SMILES: [Ag]12([Se]=P(N[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Se]=P(N[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].OCC.OCC
• Title of publication: Silver(i) coordination by variants of the bis(diphenylphosphino)amine chalcogenide ligandElectronic supplementary information (ESI) available: tables of crystal data. See http://www.rsc.org/suppdata/dt/b1/b105154g/
• Authors of publication: Wilton-Ely, James D. E. T.; Schier, Annette; Schmidbaur, Hubert
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3647
• a: 10.39 ± 0.0001 Å
• b: 17.3447 ± 0.0003 Å
• c: 29.5465 ± 0.0005 Å
• α: 102.491 ± 0.001°
• β: 98.362 ± 0.001°
• γ: 92.744 ± 0.001°
• Cell volume: 5125.94 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No