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Information card for entry 4307172
Preview
| Coordinates | 4307172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis[mu2-glutarato,O,O'-aquo-(2,2'bipyridine)-copper(II)] bis(orthoboric acid) tetrahydrated |
|---|---|
| Formula | C30 H46 B2 Cu2 N4 O20 |
| Calculated formula | C30 H46 B2 Cu2 N4 O20 |
| SMILES | B(O)(O)O.[Cu]12([n]3ccccc3c3[n]1cccc3)(OC(=O)CCCC(=O)O[Cu]1([n]3c(c4cccc[n]14)cccc3)(OC(=O)CCCC(=O)O2)[OH2])[OH2].O.O.B(O)(O)O.O.O |
| Title of publication | Syntheses, Crystal Structures, and Magnetic Properties of Metal-Organic Hybrid Materials of Cu(II): Effect of a Long Chain Dicarboxylate Backbone, and Counteranion in Their Structural Diversity |
| Authors of publication | A. K. Ghosh; D. Ghoshal; E. Zangrando; J. Ribas; N. Ray Chaudhuri |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3057 - 3071 |
| a | 8.748 ± 0.002 Å |
| b | 10.528 ± 0.002 Å |
| c | 12.232 ± 0.003 Å |
| α | 101.13 ± 0.02° |
| β | 94.29 ± 0.02° |
| γ | 111.49 ± 0.02° |
| Cell volume | 1015.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4307172.cif |
| 179109 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/71. |
4307172.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307172.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307172.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307172.cif |
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