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Information card for entry 7031418
Preview
Coordinates | 7031418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H64 Mg2 Mo6 N4 O28 |
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Calculated formula | C24 H64 Mg2 Mo6 N4 O28 |
SMILES | C[O]12[Mo]3456(=O)[O]7[Mo]89%10(=O)([O]4[Mo]42%10(=O)(O8)[O](C)[Mo]([O]4C)(=O)(=O)([O](C)[Mg]1([O]3C)([O]=CN(C)C)[O]=CN(C)C)OC)[O]1(C)[Mg]([O]9C)([O](C)[Mo]2([O](C)[Mo]671(=O)(O5)[O]2C)(=O)(=O)OC)([O]=CN(C)C)[O]=CN(C)C |
Title of publication | Retrosynthetic approach to the design of molybdenum-magnesium oxoalkoxides. |
Authors of publication | Kuznetsov, Denis A.; Fedyanin, Ivan V.; Lyssenko, Konstantin A.; Bazhenova, Tamara A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 34 |
Pages of publication | 12876 |
a | 9.6698 ± 0.0006 Å |
b | 11.2114 ± 0.0007 Å |
c | 13.5351 ± 0.0008 Å |
α | 100.797 ± 0.001° |
β | 104.167 ± 0.001° |
γ | 114.359 ± 0.001° |
Cell volume | 1225.11 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/7031418.html
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Users of the data should acknowledge the original authors of the
structural data.