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Information card for entry 4504411
Preview
| Coordinates | 4504411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H29 Cd N9 |
|---|---|
| Calculated formula | C45 H29 Cd N9 |
| SMILES | c12ccc3=C(c4ccc5n4[Cd]4([n]13)([n]1ccccc1)[n]1c(=C5c3ccncc3)ccc1C(=c1ccc(=C2c2ccncc2)n41)c1ccncc1)c1ccncc1 |
| Title of publication | Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets |
| Authors of publication | Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 2576 |
| a | 13.615 ± 0.002 Å |
| b | 18.578 ± 0.003 Å |
| c | 14.846 ± 0.003 Å |
| α | 90° |
| β | 103.143 ± 0.003° |
| γ | 90° |
| Cell volume | 3656.8 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.2294 |
| Weighted residual factors for all reflections included in the refinement | 0.2453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4504411.cif |
| 179579 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/44. |
4504411.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504411.cif |
| 45114 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504411 via cif-deposit CGI script. |
4504411.cif |
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