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Information card for entry 7030932
Preview
Coordinates | 7030932.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C110 H105 F48 N39 O53 Pb8 S16 |
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Calculated formula | C110 H105 F48 N39 O53 Pb8 S16 |
SMILES | C1c2cccc3C=[N]4N(C)c5cc6[n](c(C)[n]5[Pb]4([n]23)([OH]1)(OS(=O)(=O)C(F)(F)F)[O]=S(O)(C(F)(F)F)=O)[Pb]1([N](=Cc2cc3C=[N]4N(C)c5cc7[n](c(C)[n]5[Pb]4([n]3c(c3ccccc3)[n]12)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)[Pb]12([N](=Cc3cccc(C[OH]2)[n]13)N7C)(OS(=O)(=O)C(F)(F)F)[O]=S(O)(C(F)(F)F)=O)N6C)(OS(=O)(=O)C(F)(F)F)[O]=S(O)(C(F)(F)F)=O.C1c2cccc3C=[N]4N(C)c5cc6[n](c(C)[n]5[Pb]4([n]23)([OH]1)(OS(=O)(=O)C(F)(F)F)[O]=S(=O)(C(F)(F)F)=O)[Pb]1([N](=Cc2cc3C=[N]4N(C)c5cc7[n](c(C)[n]5[Pb]4([n]3c(c3ccccc3)[n]12)([N]#CC)OS(=O)(=O)C(F)(F)F)[Pb]12([N](=Cc3cccc(C[OH]2)[n]13)N7C)(OS(=O)(=O)C(F)(F)F)[O]=S(O)(C(F)(F)F)=O)N6C)([O]=S(O)(C(F)(F)F)=O)OS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-].C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.O |
Title of publication | Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes. |
Authors of publication | Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 22 |
Pages of publication | 8205 - 8218 |
a | 18.0882 ± 0.0018 Å |
b | 19.955 ± 0.003 Å |
c | 26.553 ± 0.003 Å |
α | 70.191 ± 0.005° |
β | 87.643 ± 0.005° |
γ | 87.432 ± 0.005° |
Cell volume | 9004.7 ± 1.9 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0946 |
Residual factor for significantly intense reflections | 0.0706 |
Weighted residual factors for significantly intense reflections | 0.1694 |
Weighted residual factors for all reflections included in the refinement | 0.1804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 0.71069 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/7030932.html
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