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Information card for entry 7015936
Preview
Coordinates | 7015936.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H72 Cl8 F42 N2 O12 W6 |
---|---|
Calculated formula | C56 H72 Cl8 F42 N2 O12 W6 |
SMILES | [N+](CCCC)(CCCC)(CCCC)CCCC.[W]1234567([W]89%10%11%12%13([W]%14%15%16%171([Cl]2[W]12%18%194%17([Cl]%15[W]4%15%10%161([Cl]8%14)([W]5%112([Cl]%124)([Cl]6%18)([Cl]%19%15)([Cl]7%13)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)([Cl]39)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(F)(F)C(F)(F)F)(F)F.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Highly luminescent complexes [Mo(6)X(8)(n-C(3)F(7)COO)(6)](2-) (X = Br, I). |
Authors of publication | Sokolov, Maxim N.; Mihailov, Maxim A.; Peresypkina, Eugenia V.; Brylev, Konstantin A.; Kitamura, Noboru; Fedin, Vladimir P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 24 |
Pages of publication | 6375 - 6377 |
a | 12.4215 ± 0.0003 Å |
b | 17.936 ± 0.0006 Å |
c | 20.1925 ± 0.0006 Å |
α | 90° |
β | 103.296 ± 0.001° |
γ | 90° |
Cell volume | 4378.1 ± 0.2 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 7 |
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 | 0.0709 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections included in the refinement | 0.0637 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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