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Information card for entry 7218062
Preview
| Coordinates | 7218062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H44 Cu2 Mo8 N12 O28 |
|---|---|
| Calculated formula | C48 H40 Cu2 Mo8 N12 O26 |
| SMILES | [O]12[Mo]34(=O)(O[Mo]56(O[Mo]78(=O)([O]9[Mo]%10%11(=O)([O]%12%13%14[Mo]%151(=O)(O[Mo]%14(=O)(O[Mo]2%12(=O)([O]4[Mo]9%13(=O)([O]357%15)O6)=O)(=[O][Cu]123[n]4ccccc4c4ccn(Cc5ccccc5Cn5[n]2c(cc5)c2[n]3cccc2)[n]14)O%11)[O]8%10)=O)=O)(=[O][Cu]123[n]4ccccc4c4ccn(Cc5ccccc5Cn5[n]2c(cc5)c2[n]3cccc2)[n]14)=O)=O |
| Title of publication | Isopolymolybdate-induced organic‒inorganic hybrid assemblies with copper ions and bichelate-bridging ligands |
| Authors of publication | Hao, Xiu-Li; Ma, Yuan-Yuan; Wang, Yong-Hui; Zang, Hong-Ying; Li, Yang-Guang |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 43 |
| Pages of publication | 10017 |
| a | 10.4332 ± 0.0002 Å |
| b | 15.1148 ± 0.0003 Å |
| c | 20.2219 ± 0.0005 Å |
| α | 90° |
| β | 109.501 ± 0.002° |
| γ | 90° |
| Cell volume | 3005.98 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0604 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180511 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/80. |
7218062.cif |
| 126368 | 2014-11-06 | cif/ Updating files of 7218060, 7218061, 7218062, 7218063, 7218064, 7218065, 7218066 Original log message: Adding full bibliography for 7218060--7218066.cif. |
7218062.cif |
| 123655 | 2014-09-10 | cif/ Adding structures of 7218060, 7218061, 7218062, 7218063, 7218064, 7218065, 7218066 via cif-deposit CGI script. |
7218062.cif |
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