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Information card for entry 4120720
Preview
Coordinates | 4120720.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MnCrL |
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Formula | C39 H60 Cr Mn N4 P3 |
Calculated formula | C39 H60 Cr Mn N4 P3 |
SMILES | c12ccccc1N1C[P]([Mn]34[P](C(C)C)(C(C)C)CN5[Cr]613[N]2(c1ccccc1N6C[P]4(C(C)C)C(C)C)c1ccccc51)(C(C)C)C(C)C |
Title of publication | Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes |
Authors of publication | Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 13142 - 13148 |
a | 15.9786 ± 0.0018 Å |
b | 15.9786 ± 0.0018 Å |
c | 11.6916 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2585.1 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 150 |
Hermann-Mauguin space group symbol | P 3 2 1 |
Hall space group symbol | P 3 2" |
Residual factor for all reflections | 0.0634 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1237 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
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/4120720.html
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