Information card for entry 4329289

Structure parameters

• Formula: C28 H44 N4 O4 P4 Se4
• Calculated formula: C28 H44 N4 O4 P4 Se4
• SMILES: C(C)(C)(C)N1P2(N(C(C)(C)C)P1(=[Se])Oc1cc(OP3(N(C(C)(C)C)P(N3C(C)(C)C)(Oc3cc(O2)ccc3)=[Se])=[Se])ccc1)=[Se]
• Title of publication: Resorcinol Based Acyclic Dimeric and Cyclic Di- and Tetrameric Cyclodiphosphazanes: Synthesis, Structural Studies, and Transition Metal Complexes
• Authors of publication: Guddekoppa S. Ananthnag; Seema Kuntavalli; Joel T. Mague; Maravanji S. Balakrishna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5919 - 5930
• a: 12.0127 ± 0.0006 Å
• b: 13.9234 ± 0.0007 Å
• c: 11.9517 ± 0.0006 Å
• α: 90°
• β: 110.451 ± 0.001°
• γ: 90°
• Cell volume: 1873.02 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0241
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No