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Information card for entry 2020322
Preview
| Coordinates | 2020322.cif |
|---|---|
| Structure factors | 2020322.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[di-μ-chlorido-(μ-3,5-diaminobenzoato-κ^2^<i>O</i>:<i>O</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)] |
|---|---|
| Formula | C7 H7 Cl2 Cu3 N2 O2 |
| Calculated formula | C7 H7 Cl2 Cu3 N2 O2 |
| Title of publication | An unusual coordination polymer containing Cu^+^ ions and featuring possible Cu···Cu `cuprophilic' interactions: poly[di-μ-chlorido-(μ~4~-3,5-diaminobenzoato-κ^4^<i>O</i>:<i>O</i>':<i>N</i>:<i>N</i>')tricopper(I)(3 <i>Cu</i>—<i>Cu</i>)] |
| Authors of publication | Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 63 - 67 |
| a | 14.4127 ± 0.0002 Å |
| b | 10.8942 ± 0.0002 Å |
| c | 20.2348 ± 0.0004 Å |
| α | 90° |
| β | 104.84 ± 0.0007° |
| γ | 90° |
| Cell volume | 3071.2 ± 0.09 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.1868 |
| Weighted residual factors for all reflections included in the refinement | 0.2024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020322.cif 2020322.hkl |
| 176625 | 2016-02-17 | cif/ Updating files of 2020322 Original log message: Adding full bibliography for 2020322.cif. |
2020322.cif 2020322.hkl |
| 176573 | 2016-02-17 | cif/ Updating files of 2020322 Original log message: Adding full bibliography for 2020322.cif. |
2020322.cif 2020322.hkl |
| 171633 | 2015-12-20 | cif/ hkl/ Adding structures of 2020322 via cif-deposit CGI script. |
2020322.cif 2020322.hkl |
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