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Information card for entry 7052486
Preview
Coordinates | 7052486.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H30 N4 Ni O4 S2 |
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Calculated formula | C28 H30 N4 Ni O4 S2 |
SMILES | [Ni]12([n]3c(cccc3CN1S(=O)(=O)c1ccc(cc1)C)C)N(S(=O)(=O)c1ccc(cc1)C)Cc1[n]2c(ccc1)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 | 32.016 ± 0.011 Å |
b | 11.932 ± 0.004 Å |
c | 16.782 ± 0.008 Å |
α | 90° |
β | 118.86 ± 0.02° |
γ | 90° |
Cell volume | 5615 ± 4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0639 |
Residual factor for significantly intense reflections | 0.0435 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.1288 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7052486.html
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