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Information card for entry 2241290
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| Coordinates | 2241290.cif |
|---|---|
| Structure factors | 2241290.hkl |
| Original IUCr paper | HTML |
| Common name | [Cu3(C10H8N2O2)2(C10H6N2O2)(CH3OH)(OH)2(NO3)2]2 |
|---|---|
| Chemical name | Bis(μ~3~-bipyridine-2,2'-diolato-κ^3^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')tetrakis(6,6'-dihydroxybipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-hydroxido-κ^2^<i>O</i>:<i>O</i>')bis(methanol-κ<i>O</i>)tetrakis(μ-nitrato-κ^2^<i>O</i>:<i>O</i>')hexacopper(II) |
| Formula | C62 H56 Cu6 N16 O30 |
| Calculated formula | C62 H56 Cu6 N16 O30 |
| SMILES | c1(cccc2c3[n]([Cu]45([n]12)(Oc1[n]2c(ccc1)c1[n]6c(O[Cu]7([n]8c(O)cccc8c8[n]7c(O)ccc8)([OH][Cu]26(ON(=[O]5)=O)[OH]4)[OH]C)ccc1)ON(=O)=O)c(O)ccc3)O |
| Title of publication | Crystal structures of bis- and hexakis[(6,6'-dihydroxybipyridine)copper(II)] nitrate coordination complexes |
| Authors of publication | Gerlach, Deidra L.; Nieto, Ismael; Herbst-Gervasoni, Corey J.; Ferrence, Gregory M.; Zeller, Matthias; Papish, Elizabeth T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1447 - 1453 |
| a | 10.2135 ± 0.0007 Å |
| b | 13.3707 ± 0.0008 Å |
| c | 14.0565 ± 0.001 Å |
| α | 64.591 ± 0.004° |
| β | 75.659 ± 0.005° |
| γ | 82.262 ± 0.005° |
| Cell volume | 1679 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241290.cif 2241290.hkl |
| 170171 | 2015-11-07 | cif/ hkl/ Adding structures of 2241289, 2241290 via cif-deposit CGI script. |
2241290.cif 2241290.hkl |
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Users of the data should acknowledge the original authors of the
structural data.