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Information card for entry 7054853
Preview
Coordinates | 7054853.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H84 Ce2 I2 Si8 |
---|---|
Calculated formula | C44 H84 Ce2 I2 Si8 |
SMILES | [c]12([cH]3[c]4([cH]5[cH]1[Ce]167892345([c]2([cH]1[cH]6[c]7([cH]82)[Si](C)(C)C)[Si](C)(C)C)[I][Ce]12345678([c]%10([cH]1[cH]2[c]3([cH]4%10)[Si](C)(C)C)[Si](C)(C)C)([I]9)[c]1([cH]5[c]6([cH]7[cH]81)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C |
Title of publication | A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes |
Authors of publication | Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P. |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 10 |
Pages of publication | 7633 |
a | 10.7177 ± 0.0007 Å |
b | 11.5326 ± 0.0007 Å |
c | 13.3332 ± 0.0008 Å |
α | 72.794 ± 0.005° |
β | 83.327 ± 0.005° |
γ | 78.87 ± 0.005° |
Cell volume | 1541.59 ± 0.17 Å3 |
Cell temperature | 150.02 ± 0.11 K |
Ambient diffraction temperature | 150.02 ± 0.11 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 | 0.0676 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0949 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/7054853.html
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Users of the data should acknowledge the original authors of the
structural data.