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Information card for entry 7218201
Preview
Coordinates | 7218201.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H62 N6 O10 Zn2 |
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Calculated formula | C60 H62 N6 O10 Zn2 |
SMILES | c1cc(cc[n]1[Zn]123[O]=C(C)O[Zn]([O]=C(C)O1)([n]1ccc(cc1)c1cc(cc(n1)c1ccncc1)c1ccc(OCCCCC)cc1)([O]=C(C)O2)OC(C)=[O]3)c1cc(cc(n1)c1ccncc1)c1ccc(OCCCCC)cc1 |
Title of publication | Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes |
Authors of publication | Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 42 |
Pages of publication | 9915 |
a | 10.8959 ± 0.0006 Å |
b | 11.2529 ± 0.0007 Å |
c | 12.1372 ± 0.0007 Å |
α | 109.804 ± 0.002° |
β | 102.546 ± 0.002° |
γ | 91.431 ± 0.002° |
Cell volume | 1358.81 ± 0.14 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.0863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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