Information card for entry 4084512

Structure parameters

• Formula: C30 H54 Ca1.5 N6 P3
• Calculated formula: C30 H54 Ca1.5 N6 P3
• Title of publication: Synthesis and Structural Characterization of Homoleptic 1,2,4-Diazaphospholide Alkaline Earth Metal Complexes
• Authors of publication: Liu, Dongling; Wang, Yongli; Pi, Chengfu; Zheng, Wenjun
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6013
• a: 16.638 ± 0.006 Å
• b: 22.436 ± 0.009 Å
• c: 21.756 ± 0.008 Å
• α: 90°
• β: 104.926 ± 0.006°
• γ: 90°
• Cell volume: 7847 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1544
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No