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Information card for entry 7007489
Preview
Coordinates | 7007489.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H22 N4 O8 Zn |
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Calculated formula | C22 H22 N4 O8 Zn |
SMILES | c12cc(cc[n]2[Zn]2(OC1=O)([OH2])([n]1c(cc(cc1)c1ccncc1)C(=O)O2)[OH2])c1ccncc1.O.O |
Title of publication | A new 2-carboxylate-substituted 4,4'-bipyridine ligand: coordination chemistry of 4,4'-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4'-bipyridine. |
Authors of publication | Chen, Chun-Long; Ellsworth, Joseph M.; Goforth, Andrea M.; Smith, Mark D.; Su, Cheng-Yong; Zur Loye, Hans-Conrad |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 44 |
Pages of publication | 5278 - 5286 |
a | 19.4456 ± 0.0012 Å |
b | 7.6438 ± 0.0004 Å |
c | 14.8027 ± 0.0009 Å |
α | 90° |
β | 93.582 ± 0.001° |
γ | 90° |
Cell volume | 2195.9 ± 0.2 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0302 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/7007489.html
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