Information card for entry 4332630

Structure parameters

• Formula: C16 H24 N6 O4 P2 W
• Calculated formula: C16 H24 N6 O4 P2 W
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])([P]12CN3CN(C2)CN(C1)C3)[P]12CN3CN(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: 21.2016 ± 0.0014 Å
• b: 7.05 ± 0.0005 Å
• c: 6.7642 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1011.05 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No