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Information card for entry 2019776
Preview
| Coordinates | 2019776.cif |
|---|---|
| Structure factors | 2019776.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-[(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuth(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] dihydrate] |
|---|---|
| Formula | C26 H20 Bi Cu N5 O14 |
| Calculated formula | C26 H20 Bi Cu N5 O14 |
| SMILES | [Cu]1(OC2=[O][Bi]3456(OC(=O)c7[n]4c2ccc7)(OC(=O)c2[n]5c(ccc2)C(=O)[O]3[Bi]2345([O]=C(O[Cu]7[n]8c9c(ccc8)ccc8ccc[n]7c98)c7[n]4c(ccc7)C(=O)O2)(OC(=O)c2[n]5c(ccc2)C([O]63)=O)ON(=O)=O)ON(=O)=O)([OH2])[n]2c3c(ccc2)ccc2ccc[n]1c32.O.O.O.O.O |
| Title of publication | A linear heterometallic bismuth‒copper coordination polymer containing two types of organic ligands |
| Authors of publication | Yue, Zi-Long; Feng, Yu-Quan; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| a | 9.1376 ± 0.0008 Å |
| b | 12.1229 ± 0.0011 Å |
| c | 13.4135 ± 0.0012 Å |
| α | 86.649 ± 0.002° |
| β | 87.233 ± 0.002° |
| γ | 70.502 ± 0.001° |
| Cell volume | 1397.6 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211403 (current) | 2018-10-12 | cif/2/01/97/ Correcting the _chemical_name_systematic data item value in entry 2019776 by removing the extra '<' and ']' symbols after consulting the original publication. |
2019776.cif 2019776.hkl |
| 181867 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019776.cif 2019776.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019776.cif 2019776.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019776.cif 2019776.hkl |
| 129511 | 2015-01-11 | cif/ hkl/ Adding structures of 2019776 via cif-deposit CGI script. |
2019776.cif 2019776.hkl |
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