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Information card for entry 7014395
Preview
| Coordinates | 7014395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H84 B2 Co2 N14 O4 S4 |
|---|---|
| Calculated formula | C110 H84 B2 Co2 N14 O4 S4 |
| SMILES | [BH]12n3[n](c(c4ccccc4)cc3c3ccccc3)[Co]3([n]4n2c(cc4c2ccccc2)c2ccccc2)([n]2n1c(cc2c1ccccc1)c1ccccc1)([n]1ccc(C2=CS/C(S2)=C2S\C(=CS2)c2cc[n](cc2)[Co]245([n]6n([BH](n7[n]2c(c2ccccc2)cc7c2ccccc2)n2[n]4c(c4ccccc4)cc2c2ccccc2)c(cc6c2ccccc2)c2ccccc2)[O]=C(O5)C)cc1)[O]=C(O3)C |
| Title of publication | Structures and physical properties of oligomeric and polymeric metal complexes based on bis(pyridyl)-substituted TTF ligands and an inorganic analogue. |
| Authors of publication | Wang, Ru; Kang, Ling-Chen; Xiong, Jing; Dou, Xiao-Wei; Chen, Xiao-Yu; Zuo, Jing-Lin; You, Xiao-Zeng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 4 |
| Pages of publication | 919 - 926 |
| a | 10.272 ± 0.007 Å |
| b | 25.084 ± 0.015 Å |
| c | 20.103 ± 0.01 Å |
| α | 90° |
| β | 116.91 ± 0.03° |
| γ | 90° |
| Cell volume | 4619 ± 5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179847 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/43. |
7014395.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014395.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014395.cif |
| 14745 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014395, 7014396, 7014397, 7014398 via cif-deposit CGI script. |
7014395.cif |
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