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Information card for entry 4104723
Preview
Coordinates | 4104723.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H55 Fe N4 Sc Si2 |
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Calculated formula | C43 H55 Fe N4 Sc Si2 |
SMILES | [Sc]1(N([Si](C)(C)C(C)(C)C)[c]23[Fe]456789%10%11[cH]2[cH]4[cH]6[cH]53)(N([Si](C(C)(C)C)(C)C)[c]2%11[cH]7[cH]8[cH]9[cH]%102)[n]2c(cccc2C2[N]1=C(Cc1c2cccc1)C)c1ccccc1 |
Title of publication | Reactions of Group III Biheterocyclic Complexes |
Authors of publication | Colin T. Carver; Diego Benitez; Kevin L. Miller; Bryan N. Williams; Ekaterina Tkatchouk; William A. Goddard; Paula L. Diaconescu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 10269 - 10278 |
a | 16.782 ± 0.003 Å |
b | 13.647 ± 0.002 Å |
c | 18.368 ± 0.003 Å |
α | 90° |
β | 109.108 ± 0.002° |
γ | 90° |
Cell volume | 3974.9 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0902 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1019 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4104723.html
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