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Information card for entry 7052699
Preview
Coordinates | 7052699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H71 B Cl2 F20 Fe I Ir O2 P2 |
---|---|
Calculated formula | C64 H71 B Cl2 F20 Fe I Ir O2 P2 |
SMILES | [IrH]12(I)[P](O[c]34[cH]5[Fe]6789%10%11%123([c]3([c]6([cH]7[c]8([cH]93)C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]5[cH]%10[c]%11(O[P]1(C(C)(C)C)C(C)(C)C)[c]24%12)(C(C)(C)C)C(C)(C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.ClCCl |
Title of publication | [Cp′FeI]2 as convenient entry into iron-modified pincer complexes: bimetallic η6,κ1-POCOP-pincer iron iridium compounds |
Authors of publication | Walter, Marc D.; White, Peter S. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 9 |
Pages of publication | 1842 |
a | 17.3392 ± 0.0002 Å |
b | 12.8333 ± 0.0002 Å |
c | 30.5957 ± 0.0004 Å |
α | 90° |
β | 97.517 ± 0.001° |
γ | 90° |
Cell volume | 6749.62 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 10 |
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 | 0.0333 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.0555 |
Weighted residual factors for all reflections included in the refinement | 0.0581 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7052699.html
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