Information card for entry 1519595

Structure parameters

• Formula: C10 H22 Cl8 N10 O0 P6
• Calculated formula: C10 H22 Cl8 N10 P6
• SMILES: C1CCN(CCCCN2CCCNP32=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)P2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)N1
• Title of publication: syn-(mu2-Tetramethylene)-bis(2-(1,3-propylenediamine-N,N')-4,4,6,6-tetrachloro- cyclotriphosphazene
• Authors of publication: Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 57
• a: 10.023 ± 0.0004 Å
• b: 10.8755 ± 0.0005 Å
• c: 15.397 ± 0.0007 Å
• α: 79.211 ± 0.002°
• β: 77.133 ± 0.002°
• γ: 69.254 ± 0.002°
• Cell volume: 1519.28 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1087
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No