Information card for entry 7010878

Structure parameters

• Formula: C34 H42 Cl4 N10 P6
• Calculated formula: C34 H42 Cl4 N10 P6
• SMILES: N1=P(c2ccccc2)(c2ccccc2)N=P2(N=P1(Cl)Cl)N(CCCCN1P3(=NP(=NP(Cl)(Cl)=N3)(c3ccccc3)c3ccccc3)NCCC1)CCCN2
• Title of publication: Chiral configurations of spermine-bridged cyclotriphosphazatrienes
• Authors of publication: Simon J. Coles; David B. Davies; Robert J. Eaton; Michael B. Hursthouse; Adem Kiliç; Thomas A. Mayer; Robert A. Shaw; Gönül Yenilmez
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 365 - 370
• a: 28.97 ± 0.006 Å
• b: 13.965 ± 0.003 Å
• c: 10.247 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4145.6 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No