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Information card for entry 4069237
Preview
Coordinates | 4069237.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 | [Cr]12345([c]6([c]1([c]2([c]3([c]15[c]46[c]23[cH]4[Mn]562([cH]([c]36c2ccccc12)[cH]45)(C#[O])(C#[O])C#[O])OC)CC)CC)O[Si](C)(C)C(C)(C)C)(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 | 11.512 ± 0.001 Å |
b | 15.137 ± 0.001 Å |
c | 21.125 ± 0.001 Å |
α | 90° |
β | 96.81 ± 0.01° |
γ | 90° |
Cell volume | 3655.2 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1057 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.155 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4069237.html
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Users of the data should acknowledge the original authors of the
structural data.