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Information card for entry 4074930
Preview
Coordinates | 4074930.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H36 Nb O P S2 Si2 |
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Calculated formula | C30 H36 Nb O P S2 Si2 |
SMILES | [Nb]12345678(SC(P(c9ccccc9)c9ccccc9)=S)(C#[O])([c]9([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]49)[c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl Halides to Give Phosphinodithioformato- and Phosphino-Niobocene Complexes: X-ray Crystal Structures of [Nb(η5-C5H4SiMe3)2(κ1-S-SC(S)(PPh2))(CO)] and [Nb(η5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3 |
Authors of publication | Antiñolo, Antonio; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 5 |
Pages of publication | 1310 - 1316 |
a | 17.063 ± 0.008 Å |
b | 10.834 ± 0.008 Å |
c | 18.488 ± 0.006 Å |
α | 90° |
β | 108.76 ± 0.04° |
γ | 90° |
Cell volume | 3236 ± 3 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.3249 |
Residual factor for significantly intense reflections | 0.0863 |
Weighted residual factors for significantly intense reflections | 0.1398 |
Weighted residual factors for all reflections included in the refinement | 0.2046 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
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/4074930.html
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Users of the data should acknowledge the original authors of the
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