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Information card for entry 4064686
Preview
Coordinates | 4064686.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71 H70 N4 O10 Re2 |
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Calculated formula | C71 H70 N4 O10 Re2 |
SMILES | C(#[O])[Re]12(C#[O])(C#[O])[n]3c4ccccc4n(c3CCCCCCCCC)Cc3ccc(cc3)Cn3c4ccccc4[n](c3CCCCCCCCC)[Re]3(C#[O])(C#[O])(C#[O])Oc4c5c(c(c6c(c7c(c(c46)O3)cccc7)O1)O2)cccc5.Cc1ccccc1 |
Title of publication | Adaptation toward Restricted Conformational Dynamics: From the Series of Neutral Molecular Rotors |
Authors of publication | Rajakannu, Palanisamy; Shankar, Bhaskaran; Yadav, Anju; Shanmugam, Ramasamy; Gupta, Deepak; Hussain, Firasat; Chang, Che-Hao; Sathiyendiran, Malaichamy; Lu, Kuang-Lieh |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 11 |
Pages of publication | 3168 |
a | 16.7355 ± 0.0008 Å |
b | 19.0723 ± 0.0011 Å |
c | 26.3039 ± 0.0008 Å |
α | 90° |
β | 129.512 ± 0.002° |
γ | 90° |
Cell volume | 6477.3 ± 0.6 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0802 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.1985 |
Weighted residual factors for all reflections included in the refinement | 0.2031 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
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/4064686.html
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Users of the data should acknowledge the original authors of the
structural data.