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Information card for entry 4305597
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4305597.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H54 F2 Mo8 N8 O32 |
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Calculated formula | C12 H54 F2 Mo8 N8 O32 |
SMILES | C(C[NH3+])N(CC[NH3+])CC[NH3+].O=[Mo]12(=O)(O[Mo]34([O]1[Mo]156([O]2[Mo]27(O[Mo]89(O[Mo]%10(F)(=O)(=O)[O]8[Mo]8([O]%10[Mo](O4)([O]318)(=O)(=O)O6)([O]529)(O7)=O)(=O)=O)(=O)=O)=O)(=O)=O)F.O.O.O.C(C[NH3+])N(CC[NH3+])CC[NH3+].O.O.O |
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 | 9.707 ± 0.003 Å |
b | 10.571 ± 0.003 Å |
c | 12.1601 ± 0.0019 Å |
α | 111.491 ± 0.019° |
β | 103.33 ± 0.02° |
γ | 101.05 ± 0.02° |
Cell volume | 1075.9 ± 0.6 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 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 | 0.0317 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for all reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.0486 |
Weighted residual factors for all reflections included in the refinement | 0.0486 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8806 |
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/4305597.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.