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Information card for entry 7052485
Preview
Coordinates | 7052485.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H16 F6 N4 Ni O4 S2 |
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Calculated formula | C16 H16 F6 N4 Ni O4 S2 |
SMILES | [Ni]12([n]3c(CN2S(=O)(=O)C(F)(F)F)cccc3C)N(S(=O)(=O)C(F)(F)F)Cc2[n]1c(ccc2)C |
Title of publication | Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands |
Authors of publication | Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 1 |
Pages of publication | 98 - 106 |
a | 7.9362 ± 0.0003 Å |
b | 9.4498 ± 0.0003 Å |
c | 14.7162 ± 0.0005 Å |
α | 80.519 ± 0.001° |
β | 80.609 ± 0.001° |
γ | 81.548 ± 0.001° |
Cell volume | 1065.77 ± 0.06 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0378 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0933 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/7052485.html
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Users of the data should acknowledge the original authors of the
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