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Information card for entry 4507172
Preview
Coordinates | 4507172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H46 Co N7 O20 |
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Calculated formula | C50 H46 Co N7 O20 |
SMILES | C(=O)(c1ccc(cc1)N1C(=O)c2cccc3C(=O)N(c4ccc(cc4)C(=O)O)[Co]451([n]23)N(c1ccc(C(=O)O)cc1)C(=O)c1cccc(C(=O)N5c2ccc(cc2)C(=O)O)[n]41)O.C(C)[N+](CC)(CC)CC.O.O.O.O.O.O.O.O |
Title of publication | Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies |
Authors of publication | Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 74 |
a | 11.0105 ± 0.0007 Å |
b | 15.6825 ± 0.0011 Å |
c | 17.8843 ± 0.0008 Å |
α | 111.061 ± 0.005° |
β | 103.503 ± 0.005° |
γ | 99.944 ± 0.005° |
Cell volume | 2687.8 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0703 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1559 |
Weighted residual factors for all reflections included in the refinement | 0.1653 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/4507172.html
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Users of the data should acknowledge the original authors of the
structural data.