Information card for entry 7103115

Structure parameters

• Formula: C36 H40 K2 N4 O2 P2
• Calculated formula: C36 H40 K2 N4 O2 P2
• SMILES: c1([p-]c(nn1)c1ccccc1)c1ccccc1.[K][O](CC)CC
• Title of publication: Structural diversity of 1,2,4-diazaphospholide complexes with alkali metals.
• Authors of publication: Wan, Li; Pi, Chengfu; Zhang, Lan; Zheng, Wenjun; Weng, Linhong; Chen, Zhenxia; Zhang, Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2266 - 2268
• a: 19.354 ± 0.003 Å
• b: 20.082 ± 0.002 Å
• c: 11.8003 ± 0.0018 Å
• α: 90°
• β: 127.45 ± 0.002°
• γ: 90°
• Cell volume: 3641.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No