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Information card for entry 4319373
Preview
Coordinates | 4319373.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C94 H94 Cl2 Mo4 N12 O16 |
---|---|
Calculated formula | C94 H94 Cl2 Mo4 N12 O16 |
SMILES | [Mo]1234[Mo]([O]=C(O1)CC1=[O][Mo]567[Mo](O1)([N](=CN5c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]6c1ccc(OC)cc1)c1ccc(OC)cc1)[N](=CN7c1ccc(OC)cc1)c1ccc(OC)cc1)([N](=CN2c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]3c1ccc(OC)cc1)c1ccc(OC)cc1)[N](=CN4c1ccc(OC)cc1)c1ccc(OC)cc1.ClCCl |
Title of publication | The Simplest Supramolecular Complexes Containing Pairs of Mo2(formamidinate)3 Units Linked with Various Dicarboxylates: Preparative Methods, Structures, and Electrochemistry |
Authors of publication | F. Albert Cotton; James P. Donahue; Chun Lin; Carlos A. Murillo |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 1234 - 1244 |
a | 10.2875 ± 0.0009 Å |
b | 26.534 ± 0.002 Å |
c | 33.857 ± 0.003 Å |
α | 90° |
β | 90.565 ± 0.002° |
γ | 90° |
Cell volume | 9241.4 ± 1.3 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0987 |
Residual factor for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections | 0.1603 |
Weighted residual factors for significantly intense reflections | 0.1476 |
Goodness-of-fit parameter for all reflections | 1.283 |
Goodness-of-fit parameter for significantly intense reflections | 1.356 |
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/4319373.html
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structural data.