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Information card for entry 7216086
Preview
| Coordinates | 7216086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 N2 O5 Zn |
|---|---|
| Calculated formula | C20 H14 N2 O5 Zn |
| Title of publication | Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking |
| Authors of publication | Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu |
| Journal of publication | CrystEngComm |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 67 |
| Pages of publication | 411 |
| a | 14.923 ± 0.003 Å |
| b | 14.426 ± 0.003 Å |
| c | 7.544 ± 0.002 Å |
| α | 90° |
| β | 91.9 ± 0.03° |
| γ | 90° |
| Cell volume | 1623.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180491 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60. |
7216086.cif |
| 114337 | 2014-05-23 | cif/ Adding structures of 7216086, 7216087, 7216088, 7216089 via cif-deposit CGI script. |
7216086.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.