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Information card for entry 1505058
Preview
| Coordinates | 1505058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 Cu2 N2 O8 Xe2 |
|---|---|
| Calculated formula | C32 H24 Cu2 N2 O8 Xe2 |
| SMILES | C1(c2ccccc2)=[O][Cu]234OC(c5ccccc5)=[O][Cu]4(O1)([n]1cc[n](cc1)[Cu]1456[O]=C(c7ccccc7)O[Cu]6(OC(c6ccccc6)=[O]1)([n]1ccncc1)([O]=C(c1ccccc1)O4)[O]=C(c1ccccc1)O5)([O]=C(c1ccccc1)O2)OC(c1ccccc1)=[O]3.[Xe].[Xe].[Xe].[Xe] |
| Title of publication | Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR |
| Authors of publication | Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S. |
| Journal of publication | Journal of Physical Chemistry C |
| Year of publication | 2007 |
| Journal volume | 111 |
| Journal issue | 3 |
| Pages of publication | 1524 |
| a | 9.74 ± 0.006 Å |
| b | 10.471 ± 0.007 Å |
| c | 10.867 ± 0.007 Å |
| α | 70.741 ± 0.012° |
| β | 65.519 ± 0.012° |
| γ | 63.558 ± 0.013° |
| Cell volume | 888.7 ± 1 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.2329 |
| Residual factor for significantly intense reflections | 0.1049 |
| Weighted residual factors for significantly intense reflections | 0.2504 |
| Weighted residual factors for all reflections included in the refinement | 0.2867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505058.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505058.cif |
| 45311 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505056, 1505057, 1505058 via cif-deposit CGI script. |
1505058.cif |
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