Information card for entry 4332626

Structure parameters

• Formula: C18 H21 N3 P2
• Calculated formula: C18 H21 N3 P2
• SMILES: P12C(P(c3ccccc3)c3ccccc3)N3CN(C1)CN(C2)C3
• Title of publication: Synthesis and Coordination Chemistry of a Novel Bidentate Phosphine: 6-(Diphenylphosphino)-1,3,5-triaza-7-phosphaadamantane (PTA-PPh2)
• Authors of publication: Wong, Gene W.; Harkreader, Jennifer L.; Mebi, Charles A.; Frost, Brian J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6748 - 6755
• a: 14.357 ± 0.002 Å
• b: 6.2457 ± 0.0009 Å
• c: 19.192 ± 0.003 Å
• α: 90°
• β: 101.598 ± 0.003°
• γ: 90°
• Cell volume: 1685.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No