Information card for entry 2215119

Structure parameters

• Chemical name: 4,4,6,6-Tetrachloro-2-[(2,4-dimethylphenyl)sulfanyl]-<i>N</i>-[4-(2,2,4,4-\ tetrachloro-1,3,5,7,11-pentaaza-2λ^5^,4λ^5^,6λ^5^-\ triphosphaspiro[5.5]undeca-1,3,5-trien-7-yl)butyl]-\ 1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin-2-amine
• Formula: C15 H25 Cl8 N9 P6 S
• Calculated formula: C15 H25 Cl8 N9 P6 S
• Title of publication: 4,4,6,6-Tetrachloro-2-[(2,4-dimethylphenyl)sulfanyl]-<i>N</i>-[4-(2,2,4,4-tetrachloro-1,3,5,7,11-pentaaza-2λ^5^,4λ^5^,6λ^5^-triphosphaspiro[5.5]undeca-1,3,5-trien-7-yl)butyl]-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin-2-amine
• Authors of publication: Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3753 - o3753
• a: 8.5829 ± 0.0017 Å
• b: 15.587 ± 0.003 Å
• c: 25.277 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3381.6 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes