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Information card for entry 7028699
Preview
Coordinates | 7028699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H28 Cu Fe2 N2 O0 S4 |
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Calculated formula | C40 H36 Cu Fe2 N2 O4 S4 |
SMILES | c12c(cc(cc1)CN(C1=[S][Cu]3(S1)[S]=C(N(Cc1cc4c(cc1)OCO4)C[c]14[cH]5[Fe]6789%10%111([cH]1[cH]6[cH]%11[cH]%10[cH]91)[cH]4[cH]7[cH]58)S3)C[c]13[cH]4[Fe]56789%101([cH]1[cH]5[cH]%10[cH]9[cH]81)[cH]3[cH]6[cH]47)OCO2 |
Title of publication | Photosensitizing activity of ferrocenyl bearing Ni(ii) and Cu(ii) dithiocarbamates in dye sensitized TiO2 solar cells. |
Authors of publication | Singh, Vikram; Chauhan, Ratna; Gupta, Ajit N.; Kumar, Vinod; Drew, Michael G. B.; Bahadur, Lal; Singh, Nanhai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 12 |
Pages of publication | 4752 - 4761 |
a | 7.5963 ± 0.0013 Å |
b | 11.2271 ± 0.0008 Å |
c | 11.6787 ± 0.0019 Å |
α | 84.763 ± 0.009° |
β | 77.404 ± 0.015° |
γ | 85.766 ± 0.009° |
Cell volume | 966.5 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0813 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.0967 |
Weighted residual factors for all reflections included in the refinement | 0.1125 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/7028699.html
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Users of the data should acknowledge the original authors of the
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