Information card for entry 7054286

Structure parameters

• Formula: C22 H44 N4 P2 S4 Zn
• Calculated formula: C22 H44 N4 P2 S4 Zn
• Title of publication: N-(Chalcogen)phosphorylated (chalcogen)ureas of zinc and cadmium(ii): SSPs for group 12‒16 thin films
• Authors of publication: Rojas-Montoya, Iván D.; Santana-Silva, Alicia; García-Montalvo, Verónica; Muñoz-Hernández, Miguel-Ángel; Rivera, Margarita
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 10
• Pages of publication: 4702
• a: 15.324 ± 0.003 Å
• b: 15.069 ± 0.003 Å
• c: 13.756 ± 0.003 Å
• α: 90°
• β: 101.624 ± 0.004°
• γ: 90°
• Cell volume: 3111.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No