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Information card for entry 4075444
Preview
Coordinates | 4075444.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H48 I N Nb P Si2 |
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Calculated formula | C38 H48 I N Nb P Si2 |
SMILES | [Nb]12345678([P](C)(c9ccccc9)c9ccccc9)(C#[N]c9c(cccc9C)C)([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.[I-] |
Title of publication | Synthesis, Characterization, and Reactivity of Isocyanidephosphidoniobocene Derivatives: X-ray Diffraction Structures of New Isocyanideniobocene Complexes, [Nb(η5-C5H4SiMe3)2(CNR)(PMePh2)]I, R = Xylyl, Cy |
Authors of publication | Antiñolo, Antonio; Evrard, David; 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 | 15 |
Pages of publication | 3670 |
a | 10.992 ± 0.005 Å |
b | 14.39 ± 0.002 Å |
c | 24.683 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3904.2 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1244 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.128 |
Weighted residual factors for all reflections included in the refinement | 0.1956 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
Diffraction radiation wavelength | 0.7107 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/4075444.html
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Users of the data should acknowledge the original authors of the
structural data.