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Information card for entry 7016511
Preview
| Coordinates | 7016511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H128 Cl8 Cu4 Mo4 N6 O16 P4 S8 |
|---|---|
| Calculated formula | C108 H128 Cl8 Cu4 Mo4 N6 O16 P4 S8 |
| Title of publication | Assembly of bicyclic or monocyclic clusters from [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)(CuMeCN)(2)](2+) with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances. |
| Authors of publication | Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 33 |
| Pages of publication | 8391 - 8398 |
| a | 13.346 ± 0.003 Å |
| b | 15.398 ± 0.003 Å |
| c | 16.355 ± 0.003 Å |
| α | 92.1 ± 0.03° |
| β | 100.34 ± 0.03° |
| γ | 104.51 ± 0.03° |
| Cell volume | 3189.2 ± 1.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1494 |
| Weighted residual factors for all reflections included in the refinement | 0.1583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179869 (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 7/01/65. |
7016511.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016511.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016511.cif |
| 27437 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016511, 7016512, 7016513, 7016514 via cif-deposit CGI script. |
7016511.cif |
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