Information card for entry 4343313

Structure parameters

• Formula: C28 H38 N4 O4 P2 S2
• Calculated formula: C28 H38 N4 O4 P2 S2
• SMILES: C(C)(C)(C)N1P(N(C(C)(C)C)P1(Oc1ccc(C#N)cc1)=S)(Oc1ccc(C#N)cc1)=S.CC(=O)C.CC(=O)C
• Title of publication: Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.
• Authors of publication: Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6423 - 6432
• a: 9.2567 ± 0.0009 Å
• b: 12.87 ± 0.0011 Å
• c: 14.0384 ± 0.0013 Å
• α: 89.777 ± 0.003°
• β: 71.683 ± 0.003°
• γ: 89.002 ± 0.003°
• Cell volume: 1587.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No