Information card for entry 7015774

Structure parameters

• Formula: C6 H16 Cl8 N8 O P6
• Calculated formula: C6 H16 Cl8 N8 O P6
• SMILES: C(C)(C)NP1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)OP1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)NC(C)C
• Title of publication: Bridged cyclophosphazenes resulting from deprotonation reactions of cyclotriphophazenes bearing a P-NH group.
• Authors of publication: Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Shaw, Robert A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5307 - 5315
• a: 12.5263 ± 0.0001 Å
• b: 12.4818 ± 0.0002 Å
• c: 16.4619 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2573.83 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No