Information card for entry 4343317

Structure parameters

• Formula: C22 H26 N4 O2 P2 Se2
• Calculated formula: C22 H26 N4 O2 P2 Se2
• SMILES: c1(ccc(C#N)cc1)OP1(N(C(C)(C)C)P(N1C(C)(C)C)(Oc1ccc(C#N)cc1)=[Se])=[Se]
• 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: 17.3148 ± 0.0009 Å
• b: 16.5674 ± 0.0008 Å
• c: 9.0063 ± 0.0005 Å
• α: 90°
• β: 99.046 ± 0.002°
• γ: 90°
• Cell volume: 2551.4 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No