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Information card for entry 2018610
Preview
Coordinates | 2018610.cif |
---|---|
Structure factors | 2018610.hkl |
Original IUCr paper | HTML |
Chemical name | [<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine- 1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl- 1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido- triiiron(II)(2 <i>Fe</i>—<i>Fe</i>) |
---|---|
Formula | C43 H40 Fe3 N2 O7 Te2 |
Calculated formula | C43 H40 Fe3 N2 O7 Te2 |
SMILES | [Te]12[Fe]34([Te]5[Fe]13([Fe]25(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])[N](=C1C(c2cccc3cccc1c23)=[N]4c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | [<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)acenaphthene-1,2-diimine-1κ^2^<i>N</i>,<i>N</i>']heptacarbonyl-1κ<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-tellurido-triiiron(II)(2 <i>Fe</i>—<i>Fe</i>) |
Authors of publication | Piryazev, Dmitry A.; Ogienko, Mikhail A.; Virovets, Alexander V.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 11 |
Pages of publication | m320 - m322 |
a | 11.5954 ± 0.0002 Å |
b | 31.7767 ± 0.0006 Å |
c | 23.7179 ± 0.0005 Å |
α | 90° |
β | 99.58 ± 0.001° |
γ | 90° |
Cell volume | 8617.3 ± 0.3 Å3 |
Cell temperature | 150 ± 0.2 K |
Ambient diffraction temperature | 150 ± 0.2 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 | 0.0697 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0828 |
Weighted residual factors for all reflections included in the refinement | 0.0966 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2018610.html
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