Information card for entry 4339404

Structure parameters

• Formula: C88 H92 Ba3 O4 P6
• Calculated formula: C88 H92 Ba3 O4 P6
• Title of publication: Bis(diphenylphosphido) derivatives of the heavier group 2 elements.
• Authors of publication: Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10410 - 10415
• a: 35.9158 ± 0.0006 Å
• b: 13.0999 ± 0.0002 Å
• c: 21.9088 ± 0.0003 Å
• α: 90°
• β: 127.42 ± 0.001°
• γ: 90°
• Cell volume: 8186.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No