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Information card for entry 4511387
Preview
| Coordinates | 4511387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H68 Cu2 N4 O20 |
|---|---|
| Calculated formula | C44 H68 Cu2 N4 O20 |
| SMILES | C(=O)(c1ccc2c(ccc(C(=O)O[Cu]3456[N](CCO)(CC[OH]4)CC[N]3(CC[OH]5)CC[OH]6)c2)c1)O[Cu]1234[OH]CC[N]3(CCO)CC[N]4(CC[OH]2)CC[OH]1.O=C([O-])c1cc2c(cc(C(=O)[O-])cc2)cc1.O.O.O.O |
| Title of publication | Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties |
| Authors of publication | Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 3398 |
| a | 8.7497 ± 0.0001 Å |
| b | 9.2024 ± 0.0002 Å |
| c | 16.6861 ± 0.0002 Å |
| α | 88.893 ± 0.001° |
| β | 79.897 ± 0.001° |
| γ | 64.008 ± 0.001° |
| Cell volume | 1186.4 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179660 (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 4/51/13. |
4511387.cif |
| 119039 | 2014-07-05 | cif/ Updating files of 4511386, 4511387, 4511388, 4511389 Original log message: Adding full bibliography for 4511386--4511389.cif. |
4511387.cif |
| 117794 | 2014-06-18 | cif/ Adding structures of 4511387 via cif-deposit CGI script. |
4511387.cif |
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Users of the data should acknowledge the original authors of the
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