Information card for entry 4315320

Structure parameters

• Formula: C14 H32 Cl2 N7 P3
• Calculated formula: C14 H32 Cl2 N7 P3
• SMILES: ClP1(Cl)=NP2(=NP3(=N1)N(CC)CCCN3CC)N(CC)CCCN2CC
• Title of publication: Aqueous Chemistry of Chlorocyclophosphazenes: Phosphates {PO2}, Phosphamides {P(O)NHR}, and the first Phosphites {PHO} and Pyrophosphates {(PO)2O} of These Heterocycles
• Authors of publication: Joanne Ledger; Ramamoorthy Boomishankar; Alexander Steiner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3896 - 3904
• a: 21.9641 ± 0.001 Å
• b: 10.9333 ± 0.0005 Å
• c: 19.9347 ± 0.0009 Å
• α: 90°
• β: 115.793 ± 0.0007°
• γ: 90°
• Cell volume: 4310.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No