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Information card for entry 4332630
Preview
Coordinates | 4332630.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H24 N6 O4 P2 W |
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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 Å3 |
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 |
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