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Information card for entry 7101647
Preview
Coordinates | 7101647.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H54 Co3 N4 O12 S8 |
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Calculated formula | C72 H54 Co3 N4 O12 S8 |
SMILES | C1(c2ccccc2)=[O][Co]234(OC(c5ccccc5)=[O][Co]([n]5ccc(cc5)/C=C/C5=CSC(S5)=C5SC=CS5)(O1)[O]=C(O2)c1ccccc1)[O]=C(c1ccccc1)O[Co]([n]1ccc(cc1)/C=C/C1=CSC(S1)=C1SC=CS1)([O]=C(c1ccccc1)O3)[O]=C(O4)c1ccccc1.N#CC.N#CC |
Title of publication | First trinuclear paramagnetic transition metal complexes with redox active ligands derived from TTF: Co2M(PhCOO)6(TTF-CH=CH-py)2.2CH3CN, M = CoII, MnII. |
Authors of publication | Gavrilenko, Konstantin S; Gal, Yann Le; Cador, Olivier; Golhen, Stéphane; Ouahab, Lahcène |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 3 |
Pages of publication | 280 - 282 |
a | 10.7106 ± 0.0005 Å |
b | 11.7808 ± 0.0007 Å |
c | 15.0518 ± 0.0011 Å |
α | 94.946 ± 0.002° |
β | 105.939 ± 0.002° |
γ | 90.94 ± 0.004° |
Cell volume | 1817.82 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1172 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.1227 |
Weighted residual factors for all reflections included in the refinement | 0.1538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7101647.html
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