Information card for entry 4503012

Structure parameters

• Formula: C21 H39 N4 O12 P3 S3
• Calculated formula: C21 H39 N4 O12 P3 S3
• Title of publication: Anion Cluster: Assembly of Dihydrogen Phosphates for the Formation of a Cyclic Anion Octamer.
• Authors of publication: Hossain, Md Alamgir; Işıklan, Muhammet; Pramanik, Avijit; Saeed, Musabbir A.; Fronczek, Frank R.
• Journal of publication: Crystal growth & design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 567 - 571
• a: 9.2366 ± 0.001 Å
• b: 9.2366 ± 0.001 Å
• c: 63.693 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4705.9 ± 0.8 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No