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Information card for entry 4500112
Preview
| Coordinates | 4500112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H50 Cu6 Mo2 N14 O4 S6 |
|---|---|
| Calculated formula | C43 H32 Cu6 Mo2 N11 O2 S6 |
| Title of publication | Syntheses, Structural, Theoretical, and Nonlinear Optical Studies of Non-Interpenetrating Three-Dimensional Nest-Shaped-Cluster [MoOS3Cu3]-Based Coordination Polymers |
| Authors of publication | Zhang, Jinfang; Meng, Suci; Song, Yinglin; Zhou, Yimeng; Cao, Yuan; Li, Jianghua; Zhao, Huajian; Hu, Jingchun; Wu, Jinhua; Humphrey, Mark G.; Zhang, Chi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 100 |
| a | 27.543 ± 0.004 Å |
| b | 13.7619 ± 0.0018 Å |
| c | 17.35 ± 0.002 Å |
| α | 90° |
| β | 99.34 ± 0.004° |
| γ | 90° |
| Cell volume | 6489.2 ± 1.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0939 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for significantly intense reflections | 0.1536 |
| Weighted residual factors for all reflections included in the refinement | 0.1623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179532 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/01. |
4500112.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500112.cif |
| 34398 | 2012-02-25 | cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong. |
4500112.cif |
| 34350 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500112 via cif-deposit CGI script. |
4500112.cif |
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Users of the data should acknowledge the original authors of the
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