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Information card for entry 4504236
Preview
| Coordinates | 4504236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3.33 H6.67 Cu1.56 I1.56 N1.11 |
|---|---|
| Calculated formula | C3.33333 H5.33333 Cu1.55333 I1.55556 N1.11111 |
| Title of publication | Two Isomers with FSC Topology Constructed from Cu6I6(DABCO)4and Cu8I8(DABCO)6Building Blocks |
| Authors of publication | Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Yunling; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 2066 |
| a | 10.29 ± 0.002 Å |
| b | 11.102 ± 0.002 Å |
| c | 17.022 ± 0.003 Å |
| α | 82.3 ± 0.03° |
| β | 88.41 ± 0.03° |
| γ | 69.13 ± 0.03° |
| Cell volume | 1800.2 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0483 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179577 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/42. |
4504236.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 {}' |
4504236.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504236.cif |
| 44982 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504235, 4504236 via cif-deposit CGI script. |
4504236.cif |
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