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Information card for entry 1551018
Preview
Coordinates | 1551018.cif |
---|---|
Structure factors | 1551018.hkl |
Original IUCr paper | HTML |
Chemical name | μ-Carbonyl-2:3κ^2^<i>C</i>:<i>C</i>-octacarbonyl-1κ^3^<i>C</i>, 2κ<i>C</i>,3κ<i>C</i>,4κ^3^<i>C</i>-bis[1:2μ-(η^6^:η^5^);3:4μ-(η^5^:η^6^)-2-methylindenyl]-1,4-dichromium(0)-2,3-dirhodium(III)}(<i>Rh</i>—<i>Rh</i>) |
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Formula | C29 H18 Cr2 O9 Rh2 |
Calculated formula | C29 H18 Cr2 O9 Rh2 |
SMILES | [c]1234[cH]5[cH]6[cH]7[cH]8[c]91([cH]1[c]%10([cH]2[Rh]2491%10(C#[O])C(=O)[Rh]149%102([c]2%11%12[cH]%13[cH]%14[cH]%15[cH]%16[c]12([cH]4[c]9([cH]%10%11)C)[Cr]%12%13%14%15%16(C#[O])(C#[O])C#[O])C#[O])C)[Cr]35678(C#[O])(C#[O])C#[O] |
Title of publication | μ-Carbonyl-bis(carbonyl{η^5^-[tricarbonyl(η^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>—<i>Rh</i>) |
Authors of publication | Werlé, Christophe; Bailly, Corinne; Karmazin, Lydia; Djukic, Jean-Pierre |
Journal of publication | IUCrData |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 5 |
Pages of publication | x190573 |
a | 11.3335 ± 0.0002 Å |
b | 32.6839 ± 0.0009 Å |
c | 15.9743 ± 0.0004 Å |
α | 90° |
β | 105.876 ± 0.001° |
γ | 90° |
Cell volume | 5691.5 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1077 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.0967 |
Weighted residual factors for all reflections included in the refinement | 0.1124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/1551018.html
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Users of the data should acknowledge the original authors of the
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