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Information card for entry 4506315
Preview
| Coordinates | 4506315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H24 Cu1.5 N O9 |
|---|---|
| Calculated formula | C20 H24 Cu1.5 N O9 |
| Title of publication | Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates |
| Authors of publication | Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 7 |
| Pages of publication | 3619 |
| a | 12.317 ± 0.005 Å |
| b | 8.541 ± 0.005 Å |
| c | 20.421 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 106.192 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2063.1 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1027 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71069 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. |
4506315.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4506315.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506315.cif |
| 62229 | 2012-07-07 | cif/ Adding structures of 4506311, 4506312, 4506313, 4506314, 4506315, 4506316, 4506317, 4506318 via cif-deposit CGI script. |
4506315.cif |
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Users of the data should acknowledge the original authors of the
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