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Information card for entry 7032953
Preview
| Coordinates | 7032953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound 1 |
|---|---|
| Formula | C28 H36 N6 O12 Zn |
| Calculated formula | C28 H30 N6 O12.198 Zn |
| Title of publication | Benzene absorption in a protuberant-grid-type zinc(II)-organic framework triggered by the migration of guest water molecules. |
| Authors of publication | Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chang-Hsiu; Chen, Chun-Chi; Lee, Gene-Hsiang; Wang, Chih-Chieh; Lu, Kuang-Lieh |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 62 - 65 |
| a | 12.4693 ± 0.0007 Å |
| b | 13.2851 ± 0.0007 Å |
| c | 13.1755 ± 0.0007 Å |
| α | 112.301 ± 0.0011° |
| β | 105.397 ± 0.0012° |
| γ | 97.7284 ± 0.0012° |
| Cell volume | 1877.97 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1023 |
| Residual factor for significantly intense reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.2423 |
| Weighted residual factors for all reflections included in the refinement | 0.2544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180035 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29. |
7032953.cif |
| 131063 | 2015-02-04 | cif/ Updating files of 7032953, 7032954, 7032955 Original log message: Adding full bibliography for 7032953--7032955.cif. |
7032953.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7032953.cif |
| 126131 | 2014-11-01 | cif/ Adding structures of 7032953, 7032954, 7032955 via cif-deposit CGI script. |
7032953.cif |
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