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Information card for entry 2217981
Preview
Coordinates | 2217981.cif |
---|---|
Structure factors | 2217981.hkl |
Original IUCr paper | HTML |
Common name | {[Dimethyl(2-pyridyl)silyl]bis(trimethylsilyl)methyl}galla[1]ferrocenophane |
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Chemical name | {[dimethyl(2-pyridyl)silyl]bis(trimethylsilyl)methyl-κ^2^C,N}(ferrocene-1,1'- diyl)gallium(III) |
Formula | C24 H36 Fe Ga N Si3 |
Calculated formula | C24 H36 Fe Ga N Si3 |
SMILES | [Fe]23456789%10[c]1([cH]2[cH]3[cH]4[cH]51)[Ga]%11([n]%12ccccc%12[Si](C%11([Si](C)(C)C)[Si](C)(C)C)(C)C)[c]16[cH]7[cH]8[cH]9[cH]%101 |
Title of publication | The galla[1]ferrocenophane {[dimethyl(2-pyridyl)silyl]bis(trimethylsilyl)methyl-κ^2^<i>C</i>,<i>N</i>}(ferrocene-1,1'-diyl)gallium(III) |
Authors of publication | Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 4 |
Pages of publication | m517 |
a | 9.6463 ± 0.0001 Å |
b | 35.2258 ± 0.0004 Å |
c | 15.4862 ± 0.0002 Å |
α | 90° |
β | 92.5212 ± 0.0007° |
γ | 90° |
Cell volume | 5257.1 ± 0.11 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0714 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.0782 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/2217981.html
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