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Information card for entry 4114145
Preview
Coordinates | 4114145.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C86 H170 B2 Co2 N2 Na O8 P6 |
---|---|
Calculated formula | C86 H170 B2 Co2 N2 Na O8 P6 |
SMILES | [B]12(c3ccccc3)C[P](C(C)C)([Co]([N]#[N][Co]34[P](C(C)C)(C(C)C)C[B](C[P]3(C(C)C)C(C)C)(C[P]4(C(C)C)C(C)C)c3ccccc3)([P](C1)(C(C)C)C(C)C)[P](C2)(C(C)C)C(C)C)C(C)C.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1 |
Title of publication | Dinitrogen Chemistry from Trigonally Coordinated Iron and Cobalt Platforms |
Authors of publication | Theodore A. Betley; Jonas C. Peters |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 10782 - 10783 |
a | 11.6846 ± 0.001 Å |
b | 14.7047 ± 0.0013 Å |
c | 15.07 ± 0.0013 Å |
α | 80.204 ± 0.002° |
β | 85.159 ± 0.002° |
γ | 70.543 ± 0.002° |
Cell volume | 2404.8 ± 0.4 Å3 |
Cell temperature | 96 ± 2 K |
Ambient diffraction temperature | 96 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1073 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1162 |
Weighted residual factors for all reflections included in the refinement | 0.1235 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.779 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4114145.html
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