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Information card for entry 7116571
Preview
| Coordinates | 7116571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H74 N2 O8 S2 |
|---|---|
| Calculated formula | C67 H74 N2 O8 S2 |
| Title of publication | Dipicolinic acid: a strong anchoring group with tunable redox and spectral behavior for stable dye-sensitized solar cells |
| Authors of publication | Erik Gabrielsson; Haining Tian; Susanna K. Eriksson; Jiajia Gao; Hong Chen; Fusheng Li; Johan Oscarsson; Junliang Sun; Hakan Rensmo; Lars Kloo; Anders Hagfeldt; Licheng Sun |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 3858 |
| a | 15.302 ± 0.002 Å |
| b | 15.3895 ± 0.0011 Å |
| c | 15.4431 ± 0.0019 Å |
| α | 71.988 ± 0.008° |
| β | 60.74 ± 0.013° |
| γ | 87.419 ± 0.008° |
| Cell volume | 2992.4 ± 0.7 Å3 |
| Cell 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Duplicate of | 7116570 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
7116571.cif |
| 180279 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/65. |
7116571.cif |
| 132071 | 2015-02-19 | cif/ Adding structures of 7116570, 7116571 via cif-deposit CGI script. |
7116571.cif |
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Users of the data should acknowledge the original authors of the
structural data.