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Information card for entry 4123041
Preview
Coordinates | 4123041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C112 H156 K4 N4 O12 V2 |
---|---|
Calculated formula | C112 H156 K4 N4 O12 V2 |
SMILES | [N]123[V]45(N(c6ccc(cc6)C)c6c(Cc7c(c(cc(c7)C)C(C)(C)C)[O]47)cc(cc6Cc4c([O]([K]26[O](C)CC[O]6C)[K]237[O](C)CC[O]2C)c(cc(c4)C)C(C)(C)C)C(C)(C)C)[N]23[V]415N(c1c(Cc5c(c(cc(c5)C)C(C)(C)C)[O]45)cc(cc1Cc1c([O]([K]24[O](C)CC[O]4C)[K]235[O](C)CC[O]2C)c(cc(c1)C)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C.c1(ccccc1)C.c1(ccccc1)C |
Title of publication | Nitrogen Atom Transfer from a Dinitrogen-Derived Vanadium Nitride Complex to Carbon Monoxide and Isocyanide. |
Authors of publication | Ishida, Yutaka; Kawaguchi, Hiroyuki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Pages of publication | 141125125639001 |
a | 13.5984 ± 0.0017 Å |
b | 15.999 ± 0.002 Å |
c | 26.25 ± 0.003 Å |
α | 91.7738 ± 0.0014° |
β | 100.245 ± 0.002° |
γ | 100.191 ± 0.002° |
Cell volume | 5519.8 ± 1.2 Å3 |
Cell temperature | 123.15 K |
Ambient diffraction temperature | 123.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0817 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1473 |
Weighted residual factors for all reflections included in the refinement | 0.1622 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71075 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/4123041.html
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Users of the data should acknowledge the original authors of the
structural data.