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Information card for entry 4108072
Preview
Coordinates | 4108072.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 2 in main text |
---|---|
Formula | C84 H144 Mo2 N8 O2 Si4 |
Calculated formula | C84 H144 Mo2 N8 O2 Si4 |
SMILES | N(c1cc(cc(c1)C)C)(C(C)(C)C)[Mo](N(c1cc(cc(c1)C)C)C(C)(C)C)([N]#[N][Mo](N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)N(c1cc(cc(c1)C)C)C(C)(C)C)N(c1cc(cc(c1)C)C)C(C)(C)C.C[Si](C)(C)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(C)C |
Title of publication | Shining Light on Dinitrogen Cleavage: Structural Features, Redox Chemistry, and Photochemistry of the Key Intermediate Bridging Dinitrogen Complex |
Authors of publication | John J. Curley; Timothy R. Cook; Steven Y. Reece; Peter Müller; Christopher C. Cummins |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 9394 - 9405 |
a | 19.2758 ± 0.0019 Å |
b | 11.4817 ± 0.0012 Å |
c | 21.05 ± 0.002 Å |
α | 90° |
β | 99.162 ± 0.002° |
γ | 90° |
Cell volume | 4599.3 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108072.html
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Users of the data should acknowledge the original authors of the
structural data.