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Information card for entry 1517738
Preview
| Coordinates | 1517738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Z3 |
|---|---|
| Formula | C44 H50 N4 Zn |
| Calculated formula | C44 H50 N4 Zn |
| SMILES | [Zn]12([n]3c(C)cc(c3=C(c3c(cc(cc3C)C)C)c3n1c(cc3C)C)C)[n]1c(c(C)cc1C)=C(c1n2c(C)cc1C)c1c(cc(cc1C)C)C |
| Title of publication | Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins. |
| Authors of publication | Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E. |
| Journal of publication | The journal of physical chemistry. C, Nanomaterials and interfaces |
| Year of publication | 2014 |
| Journal volume | 118 |
| Journal issue | 38 |
| Pages of publication | 21834 - 21845 |
| a | 15.291 ± 0.0014 Å |
| b | 15.0222 ± 0.0014 Å |
| c | 32.525 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7471.1 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517738.cif |
| 124840 | 2014-10-06 | cif/ Updating files of 1517738, 1517739, 1517740, 1517741 Original log message: Adding full bibliography for 1517738--1517741.cif. |
1517738.cif |
| 123802 | 2014-09-12 | cif/ Adding structures of 1517738, 1517739, 1517740, 1517741 via cif-deposit CGI script. |
1517738.cif |
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