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Information card for entry 4512525
Preview
| Coordinates | 4512525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 N14 O12 Zn2 |
|---|---|
| Calculated formula | C30 H30 N14 O12 Zn2 |
| SMILES | CO.c12c3c(N)nc[n]1[Zn]14([N](CCn2cn3)=Cc2c([O]1[Zn]13([n]5cnc(c6c5n(cn6)CC[N]3=Cc3c([O]41)cccc3)N)ON(=O)=O)cccc2)ON(=O)=O.O.CO.O |
| Title of publication | Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks |
| Authors of publication | Pratibha,; Verma, Sandeep |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 510 |
| a | 8.95 ± 0.005 Å |
| b | 10.672 ± 0.005 Å |
| c | 11.648 ± 0.005 Å |
| α | 116.158 ± 0.005° |
| β | 93.181 ± 0.005° |
| γ | 104.923 ± 0.005° |
| Cell volume | 946.4 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1729 |
| Weighted residual factors for all reflections included in the refinement | 0.2377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179672 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25. |
4512525.cif |
| 130441 | 2015-02-04 | cif/ Updating files of 4512523, 4512524, 4512525, 4512526, 4512527, 4512528 Original log message: Adding full bibliography for 4512523--4512528.cif. |
4512525.cif |
| 129101 | 2014-12-30 | cif/ Adding structures of 4512523, 4512524, 4512525, 4512526, 4512527, 4512528 via cif-deposit CGI script. |
4512525.cif |
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Users of the data should acknowledge the original authors of the
structural data.