Information card for entry 4339405

Structure parameters

• Formula: C36 H44 Ca O6 P2
• Calculated formula: C36 H44 Ca O6 P2
• SMILES: P(c1ccccc1)(c1ccccc1)[Ca]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)P(c1ccccc1)c1ccccc1
• 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: 11.2163 ± 0.0003 Å
• b: 20.0617 ± 0.0004 Å
• c: 15.4639 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3479.66 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No