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Information card for entry 2014833
Preview
Coordinates | 2014833.cif |
---|---|
Structure factors | 2014833.hkl |
Original IUCr paper | HTML |
Chemical name | (η^5^-Cyclopentadienyl)(N,N-dimethyldithiocarbamato-κ^2^S,S')(η^4^- tetrakis(trifluoromethyl)cyclobutadienyl)molybdenum(IV) |
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Formula | C16 H11 F12 Mo N S2 |
Calculated formula | C16 H11 F12 Mo N S2 |
SMILES | [C]12(C(F)(F)F)C3(C(F)(F)F)[Mo]4567892([S]=C(N(C)C)S9)([C]1([C]38C(F)(F)F)C(F)(F)F)[cH]1[cH]5[cH]7[cH]6[cH]41 |
Title of publication | (η^5^-Cyclopentadienyl)(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[η^4^-tetrakis(trifluoromethyl)cyclobutadienyl]molybdenum(IV) |
Authors of publication | Davidson, Jack L.; Jarvie, Alice; Muir, Kenneth W. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 4 |
Pages of publication | m209 - m210 |
a | 8.918 ± 0.001 Å |
b | 12.185 ± 0.001 Å |
c | 9.809 ± 0.002 Å |
α | 90° |
β | 106.28 ± 0.01° |
γ | 90° |
Cell volume | 1023.2 ± 0.3 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 6 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0289 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections included in the refinement | 0.0691 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014833.html
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