Information card for entry 4317050

Structure parameters

• Formula: C94 H64 B6 Cl12 F12 N15 O6 P3
• Calculated formula: C94 H64 B6 Cl12 F12 N15 O6 P3
• Title of publication: Hexa Boron-Dipyrromethene Cyclotriphosphazenes: Synthesis, Crystal Structure, and Photophysical Properties
• Authors of publication: M. Rajeswara Rao; R. Bolligarla; Ray J. Butcher; M. Ravikanth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10606 - 10616
• a: 13.173 ± 0.0012 Å
• b: 19.7737 ± 0.0018 Å
• c: 20.3065 ± 0.0018 Å
• α: 94.766 ± 0.001°
• β: 95.282 ± 0.002°
• γ: 108.255 ± 0.001°
• Cell volume: 4966.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2628
• Weighted residual factors for all reflections included in the refinement: 0.2871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No