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Information card for entry 2238742
Preview
Coordinates | 2238742.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Di-μ-iodido-bis(iodido{methyl 4-[(pyridin-2-ylmethylidene)amino]benzoate-κ^2^<i>N</i>,<i>N</i>'}cadmium) |
---|---|
Formula | C28 H24 Cd2 I4 N4 O4 |
Calculated formula | C28 H24 Cd2 I4 N4 O4 |
SMILES | c1[n]2c(ccc1)C=[N](c1ccc(cc1)C(=O)OC)[Cd]12([I][Cd]2([I]1)(I)[n]1ccccc1C=[N]2c1ccc(cc1)C(=O)OC)I |
Title of publication | Di-μ-iodido-bis(iodido{methyl 4-[(pyridin-2-ylmethylidene)amino]benzoate-κ^2^<i>N</i>,<i>N</i>'}cadmium) |
Authors of publication | Basu Baul, Tushar S.; Kundu, Sajal; Ng, Seik Weng; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 11 |
Pages of publication | m623 - m624 |
a | 8.4883 ± 0.0003 Å |
b | 9.3677 ± 0.0005 Å |
c | 10.9029 ± 0.0005 Å |
α | 109.516 ± 0.005° |
β | 95.868 ± 0.003° |
γ | 90.242 ± 0.004° |
Cell volume | 812.18 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0266 |
Residual factor for significantly intense reflections | 0.0217 |
Weighted residual factors for significantly intense reflections | 0.047 |
Weighted residual factors for all reflections included in the refinement | 0.0495 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/2238742.html
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Users of the data should acknowledge the original authors of the
structural data.