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Information card for entry 4080407
Preview
Coordinates | 4080407.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H36 Al2 Cl2 Cr N2 S2 |
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Calculated formula | C32 H36 Al2 Cl2 Cr N2 S2 |
SMILES | c12ccccc1[N]1([Cr]3([N]4(c5c(cccc5)Sc5ccccc45)[Al](CC)(CC)[Cl]3)[Cl][Al]1(CC)CC)c1c(S2)cccc1 |
Title of publication | Heterometallic Aluminum‒Chromium Phenazine and Thiophenazine Complexes. Formation of a Tetranuclear Chromium(I) Sandwich Complex |
Authors of publication | Shuster, Vladimir; Gambarotta, Sandro; Nikiforov, Grigory B.; Budzelaar, Peter H. M. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 8 |
Pages of publication | 2329 |
a | 9.3503 ± 0.0013 Å |
b | 9.9256 ± 0.0014 Å |
c | 10.0618 ± 0.0014 Å |
α | 106.479 ± 0.002° |
β | 95.036 ± 0.002° |
γ | 107.048 ± 0.002° |
Cell volume | 841.1 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1373 |
Weighted residual factors for all reflections included in the refinement | 0.1426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4080407.html
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