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Information card for entry 7701064
Preview
| Coordinates | 7701064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H100 N22 Na2 O20 S4 Zn4 |
|---|---|
| Calculated formula | C102 H100 N22 Na2 O20 S4 Zn4 |
| SMILES | C1(c2cccc3C(=O)N4c5[n](c6c(cccc6)s5)[Zn]567N(c8ccc(cc8)OC)C(=O)c8cccc(C(=O)N6c6[n](c9c(cccc9)s6)[Zn]4(N1c1ccc(cc1)OC)([n]23)[OH]7)[n]58)=[O][Na]1([O]=CN(C)C)([O](=CN(C)C)[Na]([O]=C2c3cccc4C(=O)N5c6[n](c7c(cccc7)s6)[Zn]678N(c9ccc(cc9)OC)C(=O)c9cccc(C(=O)N7c7[n](c%10c(cccc%10)s7)[Zn]5(N2c2ccc(cc2)OC)([n]34)[OH]8)[n]69)([O]=CN(C)C)([O]1=CN(C)C)[O]=CN(C)C)[O]=CN(C)C |
| Title of publication | Selective sensing of ATP by hydroxide-bridged dizinc(ii) complexes offering a hydrogen bonding cavity. |
| Authors of publication | Bansal, Deepak; Gupta, Rajeev |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 39 |
| Pages of publication | 14737 - 14747 |
| a | 12.345 ± 0.005 Å |
| b | 13.843 ± 0.005 Å |
| c | 18.915 ± 0.005 Å |
| α | 99.229 ± 0.005° |
| β | 91.953 ± 0.005° |
| γ | 115.123 ± 0.005° |
| Cell volume | 2869.8 ± 1.7 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1512 |
| Weighted residual factors for all reflections included in the refinement | 0.1543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224056 (current) | 2019-11-07 | cif/ Updating files of 7701061, 7701062, 7701063, 7701064 Original log message: Adding full bibliography for 7701061--7701064.cif. |
7701064.cif |
| 218058 | 2019-09-07 | cif/ Adding structures of 7701061, 7701062, 7701063, 7701064 via cif-deposit CGI script. |
7701064.cif |
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Users of the data should acknowledge the original authors of the
structural data.