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Information card for entry 4511696
Preview
| Coordinates | 4511696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H36 Cd4 Cl8 N4 O4 |
|---|---|
| Calculated formula | C28 H36 Cd4 Cl8 N4 O4 |
| SMILES | c1cccc2CC[OH][Cd]345([n]12)[Cl]1[Cd]2([n]6ccccc6CC[OH]2)([Cl]4)([Cl][Cd]241([n]1ccccc1CC[OH]2)[Cl][Cd]1([Cl]3)(Cl)([n]2ccccc2CC[OH]1)[Cl]54)Cl |
| Title of publication | Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks |
| Authors of publication | Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 4124 |
| a | 9.513 ± 0.002 Å |
| b | 10.681 ± 0.004 Å |
| c | 10.952 ± 0.002 Å |
| α | 98.71 ± 0.02° |
| β | 98.47 ± 0.02° |
| γ | 115.03 ± 0.03° |
| Cell volume | 968.5 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0664 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1832 |
| Weighted residual factors for all reflections included in the refinement | 0.1996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179663 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16. |
4511696.cif |
| 122834 | 2014-09-06 | cif/ Updating files of 4511696, 4511697, 4511698, 4511699, 4511700, 4511701, 4511702, 4511703 Original log message: Adding full bibliography for 4511696--4511703.cif. |
4511696.cif |
| 120820 | 2014-07-27 | cif/ Adding structures of 4511696, 4511697, 4511698, 4511699, 4511700, 4511701, 4511702, 4511703 via cif-deposit CGI script. |
4511696.cif |
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Users of the data should acknowledge the original authors of the
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