Information card for entry 7216894

Structure parameters

• Formula: C26.78 H24.99 Cl1.1 N2 O P S
• Calculated formula: C26.796 H25.007 Cl1.102 N2 O P S
• Title of publication: The synthesis and structural characterisation of some azo-containing phosphine chalcogenides and comparison to non-phosphorus-containing analogues
• Authors of publication: Alder, Mark J.; Bates, Vanessa M.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2669
• a: 8.8661 ± 0.0012 Å
• b: 10.557 ± 0.0018 Å
• c: 14.267 ± 0.003 Å
• α: 110.513 ± 0.016°
• β: 94.713 ± 0.013°
• γ: 91.063 ± 0.012°
• Cell volume: 1244.9 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No