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Information card for entry 7218061
Preview
| Coordinates | 7218061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H40 Cu2 Mo6 N12 O19 |
|---|---|
| Calculated formula | C48 H40 Cu2 Mo6 N12 O19 |
| SMILES | c1cccc2c3ccn4Cc5ccccc5Cn5[n]6c(cc5)c5[n](cccc5)[Cu]56[n]6ccccc6c6ccn(Cc7ccccc7Cn7[n]8[Cu]([n]12)([n]34)[n]1c(c8cc7)cccc1)[n]56.O1[Mo]234(O[Mo]567(O[Mo]89%10(O[Mo]%11(O[Mo]%121(=O)(O8)[O]469%11[Mo](O5)(O3)(=O)(O%12)O%10)(O2)(=O)O7)=O)=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 | 17.359 ± 0.0006 Å |
| b | 12.5591 ± 0.0004 Å |
| c | 25.123 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5477.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218061.cif |
| 180511 | 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. |
7218061.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. |
7218061.cif |
| 123655 | 2014-09-10 | cif/ Adding structures of 7218060, 7218061, 7218062, 7218063, 7218064, 7218065, 7218066 via cif-deposit CGI script. |
7218061.cif |
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