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Information card for entry 4511967
Preview
| Coordinates | 4511967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H34 Cl2 Cu2 N20 O14 |
|---|---|
| Calculated formula | C32 H34 Cl2 Cu2 N20 O14 |
| SMILES | c1(ncc2c(n1)n1c[n]2[Cu](Cl)([n]2c3c(nc(nc3)N)n(c2)CCC(=O)O)(OC(=O)CCn2c3c(cnc(N)n3)[n](c2)[Cu](Cl)([n]2c3c(nc(nc3)N)n(c2)CCC(=O)O)(OC(=O)CC1)[OH2])[OH2])N.O.O.O.O |
| Title of publication | Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant |
| Authors of publication | Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 5042 |
| a | 7.049 ± 0.002 Å |
| b | 12.588 ± 0.004 Å |
| c | 13.896 ± 0.004 Å |
| α | 67.248 ± 0.004° |
| β | 78.509 ± 0.005° |
| γ | 88.131 ± 0.006° |
| Cell volume | 1112.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1325 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179666 (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 4/51/19. |
4511967.cif |
| 124639 | 2014-10-06 | cif/ Updating files of 4511966, 4511967, 4511968, 4511969, 4511970, 4511971, 4511972, 4511973 Original log message: Adding full bibliography for 4511966--4511973.cif. |
4511967.cif |
| 123800 | 2014-09-12 | cif/ Adding structures of 4511966, 4511967, 4511968, 4511969, 4511970, 4511971, 4511972, 4511973 via cif-deposit CGI script. |
4511967.cif |
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