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Information card for entry 4305591
Preview
Coordinates | 4305591.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H36 Mo8 N4 O26 |
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Calculated formula | C12 H36 Mo8 N4 O26 |
SMILES | C(C[NH2+]CC)[NH+](C)C.O=[Mo]123(=O)O[Mo]45([O]673[Mo]3(O1)([O]1[Mo]89(O[Mo]%10%11(=O)(=O)O[Mo]%12%13([O]4[Mo]7(O2)([O]8%10%12[Mo]61(O%11)([O]5%13)=O)([O]39)=O)(=O)=O)(=O)=O)(=O)=O)(=O)=O.C(C[NH2+]CC)[NH+](C)C |
Title of publication | Synthetic Approaches for Noncentrosymmetric Molybdates |
Authors of publication | Desmond J. Hubbard; Alexander R. Johnston; Hernan Sanchez Casalongue; Amy Narducci Sarjeant; Alexander J. Norquist |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 8518 - 8525 |
a | 8.9257 ± 0.0013 Å |
b | 15.717 ± 0.002 Å |
c | 11.9316 ± 0.0017 Å |
α | 90° |
β | 97.862 ± 0.012° |
γ | 90° |
Cell volume | 1658.1 ± 0.4 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0191 |
Weighted residual factors for all reflections | 0.0633 |
Weighted residual factors for significantly intense reflections | 0.0466 |
Weighted residual factors for all reflections included in the refinement | 0.0466 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9069 |
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/4305591.html
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Users of the data should acknowledge the original authors of the
structural data.