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Information card for entry 4302946
Preview
Coordinates | 4302946.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H48 N2 O3 P2 W |
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Calculated formula | C24 H48 N2 O3 P2 W |
SMILES | C(C)(C)[P](C(C)C)(C(C)C)[W]([N]#CN(C)C)(C#[O])(C#[O])([P](C(C)C)(C(C)C)C(C)C)C#[O] |
Title of publication | Experimental and Computational Studies of Binding of Dinitrogen, Nitriles, Azides, Diazoalkanes, Pyridine, and Pyrazines to M(PR3)2(CO)3 (M = Mo, W; R = Me,iPr). |
Authors of publication | Patrick Achord; Etsuko Fujita; James T. Muckerman; Brian Scott; George C. Fortman; Manuel Temprado; Xiaochen Cai; Burjor Captain; Derek Isrow; John J. Weir; James Eric McDonough; Carl D. Hoff |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 7891 - 7904 |
a | 13.1406 ± 0.0006 Å |
b | 11.463 ± 0.0005 Å |
c | 20.0187 ± 0.0011 Å |
α | 90° |
β | 107.743 ± 0.001° |
γ | 90° |
Cell volume | 2872 ± 0.2 Å3 |
Cell temperature | 120 ± 1 K |
Ambient diffraction temperature | 120 ± 1 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 | 0.0308 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.604 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4302946.html
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