Information card for entry 7054287

Structure parameters

• Formula: C22 H44 N4 O2 P2 S2 Zn
• Calculated formula: C22 H44 N4 O2 P2 S2 Zn
• SMILES: [Zn]12([S]=P(N=C(N3CCCC3)O2)(C(C)C)C(C)C)[S]=P(N=C(N2CCCC2)O1)(C(C)C)C(C)C
• 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: 10.3217 ± 0.0019 Å
• b: 11.081 ± 0.002 Å
• c: 13.944 ± 0.003 Å
• α: 79.689 ± 0.003°
• β: 86.905 ± 0.003°
• γ: 64.54 ± 0.003°
• Cell volume: 1416.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No