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Information card for entry 4110187
Preview
Coordinates | 4110187.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H72 Cr2 N4 |
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Calculated formula | C52 H72 Cr2 N4 |
SMILES | CC(c1cccc(c1N1C=CN(c2c(cccc2C(C)C)C(C)C)[Cr]2N(c3c(cccc3C(C)C)C(C)C)C=CN([Cr]12)c1c(cccc1C(C)C)C(C)C)C(C)C)C |
Title of publication | The Shortest Metal-Metal Bond Yet: Molecular and Electronic Structure of a Dinuclear Chromium Diazadiene Complex |
Authors of publication | Kevin A. Kreisel; Glenn P. A. Yap; Olga Dmitrenko; Clark R. Landis; Klaus H. Theopold |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 14162 - 14163 |
a | 22.387 ± 0.008 Å |
b | 9.742 ± 0.003 Å |
c | 24.917 ± 0.007 Å |
α | 90° |
β | 112.718 ± 0.018° |
γ | 90° |
Cell volume | 5013 ± 3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0549 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.1205 |
Weighted residual factors for all reflections included in the refinement | 0.1282 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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