Information card for entry 4307658

Structure parameters

• Formula: C36 H24 Cl2 N4 O6 P4
• Calculated formula: C36 H24 Cl2 N4 O6 P4
• SMILES: P12(=NP(=NP3(=NP4(=N1)Oc1ccccc1c1ccccc1O4)Oc1ccccc1c1ccccc1O3)(Cl)Cl)Oc1ccccc1c1ccccc1O2
• Title of publication: Conformational Flexibility in 2,2'-Dioxybiphenyl-chloro-cyclotetraphosphazenes and its Relevance to Polyphosphazene Analogues
• Authors of publication: Eric W. Ainscough; Andrew M. Brodie; Adrian B. Chaplin; Andreas Derwahl; John A. Harrison; Carl A. Otter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2575 - 2583
• a: 14.2015 ± 0.0002 Å
• b: 12.0582 ± 0.0001 Å
• c: 20.7909 ± 0.0003 Å
• α: 90°
• β: 95.88 ± 0.001°
• γ: 90°
• Cell volume: 3541.6 ± 0.08 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No