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Information card for entry 4345756
Preview
| Coordinates | 4345756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H88 B4 Cu12 N24 S16 W4 |
|---|---|
| Calculated formula | C60 H88 B4 Cu12 N24 S16 W4 |
| SMILES | [BH]12n3c(C)cc(C)[n]3[W]34567([n]8c(cc(C)n18)C)([n]1n2c(C)cc1C)[S]1[Cu]2895[S]3[Cu]3568[S]4[Cu]7193[S]1[Cu]3467[S]8[W]9%10%11%12%134([n]4c(cc(C)n4[BH](n4c(C)cc([n]94)C)n4[n]%10c(cc4C)C)C)[S]3[Cu]346%12[S]%11[Cu]78%134[S]2[Cu]2467[S]8[W]9%10%11%12%134([n]4c(cc(C)n4[BH](n4c(C)cc([n]94)C)n4[n]%10c(cc4C)C)C)[S]4[Cu]968%12[S]3[Cu]368%10[S]%12[W]%14%15%16%17%186([n]6c(cc(C)n6[BH](n6c(C)cc([n]%146)C)n6[n]%15c(cc6C)C)C)[S]6[Cu]8%12%17([S]5[Cu]7%1349[S]2%11)[Cu]1%10%186[S]3%16 |
| Title of publication | Tungsten(VI)-Copper(I)-Sulfur Cluster-Supported Metal-Organic Frameworks Bridged by in Situ Click-Formed Tetrazolate Ligands. |
| Authors of publication | Chen, Qiu-Fang; Zhao, Xin; Liu, Quan; Jia, Ji-Dong; Qiu, Xiao-Ting; Song, Ying-Lin; Young, David James; Zhang, Wen-Hua; Lang, Jian-Ping |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 5669 - 5679 |
| a | 25.994 ± 0.017 Å |
| b | 25.994 ± 0.017 Å |
| c | 33.868 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 22884 ± 2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d :2 |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.219 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345756.cif |
| 264242 | 2021-04-16 | cif/4 Fixing some Z values and formulae |
4345756.cif |
| 197396 | 2017-06-05 | cif/ Updating files of 4345750, 4345751, 4345752, 4345753, 4345754, 4345755, 4345756, 4345757 Original log message: Adding full bibliography for 4345750--4345757.cif. |
4345756.cif |
| 195785 | 2017-04-27 | cif/ Adding structures of 4345750, 4345751, 4345752, 4345753, 4345754, 4345755, 4345756, 4345757 via cif-deposit CGI script. |
4345756.cif |
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Users of the data should acknowledge the original authors of the
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