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Information card for entry 8102124
Preview
| Coordinates | 8102124.cif |
|---|---|
| External links | PubChem |
| Chemical name | μ-aqua-(bis(μ-2-nitrobenzoato-κ^2^O:O')(bis(2-nitrobenzoato- κO)tetrakis[(pyridine-κN)]dicopper(II) |
|---|---|
| Formula | C48 H38 Cu2 N8 O17 |
| Calculated formula | C48 H38 Cu2 N8 O17 |
| Title of publication | Crystal structure of μ-aqua-bis(μ-2-nitrobenzoato-κ ^2^O:O')(bis(2-nitrobenzoato-κO)tetrakis(pyridine-κN)- dicopper(II), Cu~2~(H~2~O)(C~5~H~5~N)~4~(C~7~H~4~NO~4~)~4~ |
| Authors of publication | Cai, Wen-Xuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 217 - 218 |
| a | 16.01 ± 0.003 Å |
| b | 13.516 ± 0.003 Å |
| c | 23.694 ± 0.005 Å |
| α | 90° |
| β | 99.82 ± 0.03° |
| γ | 90° |
| Cell volume | 5052.1 ± 1.9 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.117 |
| Residual factor for significantly intense reflections | 0.0916 |
| Weighted residual factors for significantly intense reflections | 0.2304 |
| Weighted residual factors for all reflections included in the refinement | 0.2563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102124.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102124.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102124.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102124.cif |
| 12863 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102124 via cif-deposit CGI script. |
8102124.cif |
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