Information card for entry 7059636

Structure parameters

• Formula: C12 H25 N2 O P S
• Calculated formula: C12 H25 N2 O P S
• SMILES: S=P(NC(=O)N1CCCCC1)(C(C)C)C(C)C
• Title of publication: Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films
• Authors of publication: Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 10367 - 10379
• a: 10.0025 ± 0.0006 Å
• b: 18.7416 ± 0.0011 Å
• c: 17.4507 ± 0.001 Å
• α: 90°
• β: 96.041 ± 0.002°
• γ: 90°
• Cell volume: 3253.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No