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Information card for entry 1556274
Preview
Coordinates | 1556274.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H56 Fe N2 O4 |
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Calculated formula | C32 H56 Fe N2 O4 |
SMILES | C(=O)([c]12[Fe]3456789([c]%10(C(=O)[O-])[cH]3[cH]5[cH]7[cH]9%10)[cH]1[cH]4[cH]6[cH]28)[O-].C(CCCCCCCCC)[NH3+].C(CCCCCCCCC)[NH3+] |
Title of publication | Ferrocene based organometallic gelators: a supramolecular synthon approach |
Authors of publication | Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi |
Journal of publication | Soft Matter |
Year of publication | 2011 |
Journal volume | 7 |
Journal issue | 7 |
Pages of publication | 3634 |
a | 6.344 ± 0.003 Å |
b | 9.743 ± 0.005 Å |
c | 13.824 ± 0.007 Å |
α | 101.95 ± 0.007° |
β | 92.72 ± 0.008° |
γ | 91.48 ± 0.008° |
Cell volume | 834.4 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0494 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1131 |
Weighted residual factors for all reflections included in the refinement | 0.1147 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
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/1556274.html
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Users of the data should acknowledge the original authors of the
structural data.