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Information card for entry 7201338
Preview
Coordinates | 7201338.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H68 Cl10 Cu3 Fe2 N16 O6 |
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Calculated formula | C80 H68 Cl10 Cu3 Fe2 N16 O6 |
SMILES | c1[n]2[Fe]345([n]6c(c7[n]3cccc7)cc(cc6c2ccc1)c1cc[n](cc1)[Cu]([n]1ccc(c2cc3c6cccc[n]6[Fe]678([n]3c(c2)c2[n]6cccc2)[n]2ccccc2c2[n]7c(cc(c2)c2cc[n](cc2)[Cu](Cl)(Cl)Cl)c2[n]8cccc2)cc1)([OH2])([OH2])(Cl)Cl)[n]1ccccc1c1[n]4c(cc(c1)c1cc[n](cc1)[Cu](Cl)(Cl)Cl)c1[n]5cccc1.O.O.[Cl-].O.O.[Cl-] |
Title of publication | Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts |
Authors of publication | Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A. |
Journal of publication | CrystEngComm |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 11 |
Pages of publication | 2406 |
a | 11.894 ± 0.002 Å |
b | 13.086 ± 0.003 Å |
c | 14.509 ± 0.003 Å |
α | 108.38 ± 0.03° |
β | 105.6 ± 0.03° |
γ | 96.33 ± 0.03° |
Cell volume | 2016.6 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0985 |
Residual factor for significantly intense reflections | 0.0789 |
Weighted residual factors for significantly intense reflections | 0.1946 |
Weighted residual factors for all reflections included in the refinement | 0.2082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
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/7201338.html
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