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Information card for entry 4086867
Preview
Coordinates | 4086867.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H42 B Fe N6 Nb |
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Calculated formula | C32 H42 B Fe N6 Nb |
SMILES | C1(CC1)[Nb]123([C](#[C]1C)C)([c]14[cH]5[cH]6[cH]7[cH]1[Fe]189%104567[cH]4[cH]%10[cH]9[cH]8[cH]14)[n]1c(C)cc(C)n1[BH](n1c(cc(C)[n]21)C)n1c(cc(C)[n]31)C |
Title of publication | CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction |
Authors of publication | Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 1 |
Pages of publication | 53 |
a | 11.4037 ± 0.001 Å |
b | 15.838 ± 0.0013 Å |
c | 19.2775 ± 0.0016 Å |
α | 90° |
β | 105.849 ± 0.004° |
γ | 90° |
Cell volume | 3349.4 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0809 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.1131 |
Weighted residual factors for all reflections included in the refinement | 0.124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4086867.html
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Users of the data should acknowledge the original authors of the
structural data.