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Information card for entry 4121741
Preview
Coordinates | 4121741.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C171 H142 Cd2 N16 O22 Pb2 S5 |
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Calculated formula | C171 H142 Cd2 N16 O22 Pb2 S5 |
SMILES | [Cd]13([n]5c6C7=c8n9[Pb]2(OC(=O)C4Cc%10cccc(C(=O)Nc%11c(C(=c5cc6)c5n1c(cc5)C(=c1[n]2c(cc1)C(=c9cc8)c1ccccc1NC(=O)c1cccc(c1)C4)c1ccccc1NC(=O)c1cccc(c1)CC(Cc1cccc(C(=O)Nc2c7cccc2)c1)C(=O)O3)cccc%11)c%10)[O]=S(C)C)[O]=S(C)C.O=S(C)C.[Cd]13[n]5c6C7=c8n9[Pb]2(OC(=O)C4Cc%10cccc(C(=O)Nc%11c(C(=c5cc6)c5n1c(cc5)C(=c1[n]2c(cc1)C(=c9cc8)c1ccccc1NC(=O)c1cccc(c1)C4)c1ccccc1NC(=O)c1cccc(c1)CC(Cc1cccc(C(=O)Nc2c7cccc2)c1)C(=O)O3)cccc%11)c%10)([O]=S(C)C)[O]=S(C)C.OC |
Title of publication | Heterobimetallic porphyrin complexes displaying triple dynamics: coupled metal motions controlled by constitutional evolution. |
Authors of publication | Le Gac, Stéphane; Fusaro, Luca; Roisnel, Thierry; Boitrel, Bernard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 18 |
Pages of publication | 6698 - 6715 |
a | 12.73 ± 0.0012 Å |
b | 49.192 ± 0.004 Å |
c | 13.2149 ± 0.0012 Å |
α | 90° |
β | 92.641 ± 0.002° |
γ | 90° |
Cell volume | 8266.6 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0838 |
Residual factor for significantly intense reflections | 0.0718 |
Weighted residual factors for significantly intense reflections | 0.1742 |
Weighted residual factors for all reflections included in the refinement | 0.1799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation probe | x-ray |
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/4121741.html
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