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Information card for entry 4308302
Preview
Coordinates | 4308302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H40 Mo8 N6 O26 |
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Calculated formula | C18 H40 Mo8 N6 O26 |
SMILES | [Mo]123(=O)(=O)O[Mo]45([O]673[Mo]3(O1)(=O)(=O)[O]1[Mo]87(O2)([O]5[Mo]25([O]4[Mo]476([O]3[Mo]31([O]827[Mo](O4)(O5)(O3)(=O)=O)(=O)=O)=O)(=O)=O)=O)(=O)=O.[NH+]12CC[NH+](CC1)CC2.N12CC[NH+](CC1)CC2.[NH+]12CCN(CC1)CC2 |
Title of publication | [Mo16O53F2]12-: a New Polyoxofluoromolybdate Anion |
Authors of publication | Adam K. Stover; Jesse R. Gutnick; Amy Narducci Sarjeant; Alexander J. Norquist |
Journal of publication | Inorganic Chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Pages of publication | 4389 - 4391 |
a | 10.1506 ± 0.0009 Å |
b | 10.8733 ± 0.0009 Å |
c | 18.2157 ± 0.0014 Å |
α | 101.369 ± 0.007° |
β | 102.863 ± 0.0017° |
γ | 100.601 ± 0.007° |
Cell volume | 1866.2 ± 0.3 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 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 | 0.056 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for all reflections | 0.1016 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.0927 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9357 |
Diffraction radiation wavelength | 0.7107 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/4308302.html
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Users of the data should acknowledge the original authors of the
structural data.