Information card for entry 4326116

Structure parameters

• Formula: C5 As3 O5 P S3 W
• Calculated formula: C5 As3 O5 P S3 W
• SMILES: [W]([P]12S[As]3[As]([As]3S2)S1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: PAs3S3 Cage as a New Building Block in Copper Halide Coordination Polymers
• Authors of publication: Patrick Schwarz; Joachim Wachter; Manfred Zabel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8477 - 8483
• a: 10.5937 ± 0.0006 Å
• b: 22.9086 ± 0.0013 Å
• c: 12.0364 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2921.1 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No