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Information card for entry 2018425
Preview
Coordinates | 2018425.cif |
---|---|
Structure factors | 2018425.hkl |
Original IUCr paper | HTML |
Chemical name | dichlorido-2κ^2^<i>Cl</i>-μ-oxido-κ^2^<i>O</i>:<i>O</i>-tetraoxido- 1κ^2^<i>O</i>,2κ^2^<i>O</i>-[tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl- 1κ<i>N</i>^2^)methane]dimolybdenum(IV) acetonitrile monosolvate |
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Formula | C18 H25 Cl2 Mo2 N7 O5 |
Calculated formula | C18 H25 Cl2 Mo2 N7 O5 |
Title of publication | A novel dinuclear Mo^VI^ complex with tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methane |
Authors of publication | Gago, Sandra; Gomes, Ana C.; Cunha-Silva, Luís; Pillinger, Martyn; Gonçalves, Isabel S.; Almeida Paz, Filipe A. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m73 - m75 |
a | 8.6346 ± 0.0005 Å |
b | 21.6152 ± 0.0012 Å |
c | 13.6021 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2538.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation wavelength | 0.71073 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/2018425.html
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Users of the data should acknowledge the original authors of the
structural data.