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Information card for entry 4069236
Preview
Coordinates | 4069236.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H37 Cl2 Cr Mn O8 Si |
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Calculated formula | C35 H37 Cl2 Cr Mn O8 Si |
SMILES | [Mn]1234([c]56[c]4([cH]3[cH]2[cH]15)[c]12[Cr]3457([c]1([c]3([c]4([c]5([c]27c1ccccc61)OC)CC)CC)O[Si](C)(C)C(C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].C(Cl)Cl |
Title of publication | Heterobimetallic Cr−Mn Complexes of Fused Arenes: Chromium-Templated Benzannulation of a Cymanthrene-Type Metal Carbene and Haptotropic Metal Migration along a Dibenzo[c,e]indene Platform† |
Authors of publication | Dubarle Offner, Julien; Fröhlich, Roland; Kataeva, Olga; Rose-Munch, Françoise; Rose, Eric; Dötz, Karl Heinz |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 10 |
Pages of publication | 3004 |
a | 14.3645 ± 0.0002 Å |
b | 14.1696 ± 0.0002 Å |
c | 19.2953 ± 0.0004 Å |
α | 90° |
β | 111.194 ± 0.001° |
γ | 90° |
Cell volume | 3661.71 ± 0.11 Å3 |
Cell temperature | 198 ± 2 K |
Ambient diffraction temperature | 198 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0932 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.106 |
Weighted residual factors for all reflections included in the refinement | 0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4069236.html
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Users of the data should acknowledge the original authors of the
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