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Information card for entry 7027588
Preview
Coordinates | 7027588.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H28 Br2 F8 Mn N4 O2 S4 |
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Calculated formula | C36 H26 Br2 F8 Mn N4 O2 S4 |
SMILES | [Mn](Br)(Br)([n]1ccc(cc1)Sc1c(F)c(F)c(c(F)c1F)Sc1ccncc1)([n]1ccc(cc1)Sc1c(F)c(F)c(c(F)c1F)Sc1ccncc1)(OCC)OCC |
Title of publication | Diversity of chain, interwoven and network structures formed by metal complexes with 2,3,5,6-tetrafluoro-1,4-bis(4-pyridyl-sulfenyl)benzene † |
Authors of publication | Goodgame, David M. L.; Grachvogel, David A.; Holland, Stephanie; Long, Nicholas J.; White, Andrew J. P.; Williams, David J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 19 |
Pages of publication | 3473 |
a | 14.7441 ± 0.001 Å |
b | 9.6438 ± 0.0013 Å |
c | 27.253 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3875.1 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0832 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for all reflections | 0.1481 |
Weighted residual factors for significantly intense reflections | 0.1306 |
Goodness-of-fit parameter for all reflections | 1.052 |
Goodness-of-fit parameter for significantly intense reflections | 1.096 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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