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Information card for entry 4503812
Preview
| Coordinates | 4503812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H46 Cu2 N4 O14 |
|---|---|
| Calculated formula | C26 H46 Cu2 N4 O14 |
| SMILES | C1C[N]23CC[OH][Cu]3([NH2]CC)([OH]1)([OH]CC2)OC(=O)c1c(C(=O)[O-])cc(C(=O)O[Cu]234([N](CC[OH]2)(CC[OH]3)CC[OH]4)[NH2]CC)c(C(=O)[O-])c1 |
| Title of publication | Multicopper(II) Pyromellitate Compounds: Self-Assembly Synthesis, Structural Topologies, and Magnetic Features |
| Authors of publication | Karabach, Yauhen Y.; Kirillov, Alexander M.; Haukka, Matti; Sanchiz, Joaquin; Kopylovich, Maximilian N.; Pombeiro, Armando J. L. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 11 |
| Pages of publication | 4100 |
| a | 8.603 ± 0.0005 Å |
| b | 9.1945 ± 0.0004 Å |
| c | 10.9382 ± 0.0006 Å |
| α | 87.167 ± 0.003° |
| β | 71.93 ± 0.003° |
| γ | 79.282 ± 0.003° |
| Cell volume | 808.16 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0647 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179573 (current) | 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 4/50/38. |
4503812.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4503812.cif |
| 41783 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503810, 4503811, 4503812 via cif-deposit CGI script. |
4503812.cif |
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Users of the data should acknowledge the original authors of the
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