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Information card for entry 4326454
Preview
Coordinates | 4326454.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H24 Cl3 I3 Mo N9 |
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Calculated formula | C33 H24 Cl3 I3 Mo N9 |
SMILES | [Mo]123([n]4c(N=[N]1c1c(cccc1)Cl)cccc4)([N](=Nc1[n]2cccc1)c1c(Cl)cccc1)[n]1ccccc1N=[N]3c1ccccc1Cl.I[I-]I |
Title of publication | Isolation and Assessment of the Molecular and Electronic Structures of Azo-Anion-Radical Complexes of Chromium and Molybdenum. Experimental and Theoretical Characterization of Complete Electron-Transfer Series |
Authors of publication | Sucheta Joy; Tobias Krämer; Nanda D. Paul; Priyabrata Banerjee; John E. McGrady; Sreebrata Goswami |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9993 - 10004 |
a | 10.0086 ± 0.0011 Å |
b | 19.211 ± 0.002 Å |
c | 19.417 ± 0.002 Å |
α | 90° |
β | 92.017 ± 0.002° |
γ | 90° |
Cell volume | 3731.1 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0489 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0788 |
Weighted residual factors for all reflections included in the refinement | 0.0849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4326454.html
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