Information card for entry 1519349

Structure parameters

• Formula: C21 H18 As2 N4 S4
• Calculated formula: C21 H18 As2 N4 S4
• SMILES: [As](Sc1ncccc1)(Sc1ncccc1)C[As](Sc1ncccc1)Sc1ncccc1
• Title of publication: bis(bis(2-Pyridylthio)arsino)methane
• Authors of publication: Davies, J. E.; Hursthouse, Michael B.; Coles, Simon J.; Joy, J. S.; Paver, M. A.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 82
• a: 9.725 ± 0.003 Å
• b: 14.576 ± 0.004 Å
• c: 8.545 ± 0.004 Å
• α: 93.58 ± 0.03°
• β: 90.85 ± 0.04°
• γ: 103.34 ± 0.02°
• Cell volume: 1175.8 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No