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Information card for entry 7015975
Preview
Coordinates | 7015975.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Br8 Fe3 N6 S6 |
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Calculated formula | C24 H24 Br8 Fe3 N6 S6 |
SMILES | Cc1[n]2c(c3csc(C)[n]3[Fe]342([n]2c(C)scc2c2csc(C)[n]32)[n]2c(C)scc2c2csc(C)[n]42)cs1.Br[Fe](Br)(Br)[Br-].Br[Fe](Br)(Br)[Br-] |
Title of publication | Synthesis, characterization, mechanochromism and photochromism of [Fe(dm4bt)(3)][FeCl(4)](2) and [Fe(dm4bt)(3)][FeBr(4)](2), along with the investigation of steric influence on spin state. |
Authors of publication | Abedi, Anita; Safari, Nasser; Amani, Vahid; Khavasi, Hamid Reza |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 26 |
Pages of publication | 6877 - 6885 |
a | 12.8209 ± 0.0007 Å |
b | 12.8209 ± 0.0007 Å |
c | 43.002 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6121.5 ± 0.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.0462 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.0984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7015975.html
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