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Information card for entry 2016456
Preview
Coordinates | 2016456.cif |
---|---|
Structure factors | 2016456.hkl |
Original IUCr paper | HTML |
Chemical name | {2-[(2-hydroxyethyl)iminiomethyl]phenolato-κO}dioxido(2-[(2-\ oxidoethyl)iminomethyl]phenolato-κ^3^O,N,O')molybdenum(VI) |
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Formula | C18 H20 Mo N2 O6 |
Calculated formula | C18 H20 Mo N2 O6 |
SMILES | [Mo]12([N](=Cc3ccccc3O1)CCO2)(=O)(=O)Oc1ccccc1/C=[NH+]/CCO |
Title of publication | Polymorph of {2-[(2-hydroxyethyl)iminiomethyl]phenolato-κ<i>O</i>}dioxido{2-[(2-oxidoethyl)iminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}molybdenum(VI) |
Authors of publication | Agustin, Dominique; Jean-Claude Daran; Poli, Rinaldo |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 2 |
Pages of publication | m101 - m104 |
a | 10.0953 ± 0.0005 Å |
b | 13.5645 ± 0.0008 Å |
c | 21.8864 ± 0.0014 Å |
α | 81.731 ± 0.005° |
β | 86.437 ± 0.005° |
γ | 71.422 ± 0.005° |
Cell volume | 2810.9 ± 0.3 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0551 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0988 |
Weighted residual factors for all reflections included in the refinement | 0.1051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
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/2016456.html
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Users of the data should acknowledge the original authors of the
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