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Information card for entry 7209103
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Coordinates | 7209103.cif |
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Original paper (by DOI) | HTML |
Common name | carbonatobis(1,10-phenanthroline)cobalt(iii) 2- iodobenzoate.heptahydrate |
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Chemical name | carbonatobis(1,10-phenanthroline)cobalt(III) 2-iodobenzoate.heptahydrate |
Formula | C32 H34 Co I N4 O12 |
Calculated formula | C32 H34 Co I N4 O12 |
SMILES | [Co]123(OC(=O)O1)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.Ic1c(cccc1)C(=O)[O-].O.O.O.O.O.O.O |
Title of publication | Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions |
Authors of publication | Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 6 |
Pages of publication | 1153 |
a | 11.284 ± 0.002 Å |
b | 12.636 ± 0.003 Å |
c | 14.396 ± 0.003 Å |
α | 67.41 ± 0.03° |
β | 77.95 ± 0.03° |
γ | 64.21 ± 0.03° |
Cell volume | 1704.3 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.051 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1164 |
Weighted residual factors for all reflections included in the refinement | 0.122 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/7209103.html
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