Information card for entry 4086270

Structure parameters

• Formula: C42 H33 Cl Mo2 O14 P2 S3
• Calculated formula: C41.5 H32 Cl Mo2 O14 P2 S3
• Title of publication: Metallathiacrown Ethers: Synthesis and Characterization of Transition-Metal Complexes Containing α,ω-Bis(phosphite)-Polythioether Ligands and an Evaluation of Their Soft Metal Binding Capabilities
• Authors of publication: Martin, Justin R.; Lucius, Aaron L.; Gray, Gary M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4605
• a: 14.889 ± 0.005 Å
• b: 33.464 ± 0.011 Å
• c: 9.693 ± 0.004 Å
• α: 90°
• β: 104.85 ± 0.011°
• γ: 90°
• Cell volume: 4668 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No