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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] |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2019776.html
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