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Information card for entry 4113783
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| Coordinates | 4113783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2{Cd(NO3)2*2Pyyne*H2O} |
|---|---|
| Chemical name | bis{1-(4-ethynylpyridine)-4-(2-pyridyl)phenylene}cadmium(II) bisnitrate monohydrate |
| Formula | C36 H26 Cd N6 O7 |
| Calculated formula | C36 H26 Cd N6 O7 |
| Title of publication | Stereoselective Association of Binuclear Metallacycles in Coordination Polymers |
| Authors of publication | Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 6753 - 6761 |
| a | 38.754 ± 0.008 Å |
| b | 10.189 ± 0.002 Å |
| c | 8.479 ± 0.0017 Å |
| α | 90° |
| β | 102.13 ± 0.03° |
| γ | 90° |
| Cell volume | 3273.3 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.6892 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4113783.cif |
| 178908 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/37. |
4113783.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113783.cif |
| 67055 | 2012-09-18 | cif/ Adding structures of 4113783 via cif-deposit CGI script. |
4113783.cif |
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Users of the data should acknowledge the original authors of the
structural data.