Information card for entry 1518918

Structure parameters

• Formula: C42 H84 Br3 F6 P7 Se4 W3
• Calculated formula: C42 H84 Br3 F6 P7 Se4 W3
• SMILES: [W]123(Br)([Se]4[W]5(Br)([Se]2)([Se][W]24(Br)([Se]1)[P]1([C@H](C)CC[C@H]1C)CC[P]12[C@H](C)CC[C@H]1C)[P]1([C@H](C)CC[C@H]1C)CC[P]15[C@H](C)CC[C@H]1C)[P]1([C@H](C)CC[C@H]1C)CC[P]13[C@H](C)CC[C@H]1C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Enantioselective synthesis of tungsten trimetallic cluster chalcogenides
• Authors of publication: Eva M. Guillamon; Marta Blasco; Rosa Llusar
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 248 - 253
• a: 15.6097 ± 0.0011 Å
• b: 15.6097 ± 0.0011 Å
• c: 23.225 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4900.9 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No