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Information card for entry 7701062
Preview
| Coordinates | 7701062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114 H116 N30 Na2 O20 S8 Zn4 |
|---|---|
| Calculated formula | C114 H116 N30 Na2 O20 S8 Zn4 |
| SMILES | c12cccc3C(=O)N(c4nc5ccccc5s4)[Zn]45(N(C1=O)c1[n](c6ccccc6s1)[Zn]167N8C(=[O][Na]9([n]%10c(N%11C(=[O][Na]([n]%12c8sc8ccccc%128)([O]57)([O]=CN(C)C)[O]=CN(C)C)c5cccc7C(=O)N8c%12[n](c%13c(cccc%13)s%12)[Zn]%12%13%14N(C(=O)c%15cccc(C(=O)N%13c%13nc%16ccccc%16s%13)[n]%12%15)c%12[n](c%13ccccc%13s%12)[Zn]%118([n]57)[O]9%14)sc5ccccc%105)([O]=CN(C)C)[O]=CN(C)C)c5cccc(C(=O)N6c6[n]4c4c(cccc4)s6)[n]15)[n]23.CN(C)C=O.C(=O)N(C)C.C(=O)N(C)C.CN(C)C=O.C(=O)N(C)C.C(=O)N(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 | 16.853 ± 0.005 Å |
| b | 21.374 ± 0.005 Å |
| c | 17.358 ± 0.005 Å |
| α | 90° |
| β | 90.118 ± 0.005° |
| γ | 90° |
| Cell volume | 6253 ± 3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1515 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
7701062.cif |
| 218058 | 2019-09-07 | cif/ Adding structures of 7701061, 7701062, 7701063, 7701064 via cif-deposit CGI script. |
7701062.cif |
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Users of the data should acknowledge the original authors of the
structural data.