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Information card for entry 4001102
Preview
| Coordinates | 4001102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H100.5 F4.5 Ge21 N15 Ni2 O51.5 |
|---|---|
| Calculated formula | C27 H60 F4.758 Ge21 N15 Ni2 O51.798 |
| Title of publication | [Ni(1,2-PDA)3]2(HOCH2CH2CH2NH3)3(H3O)2[Ge7O14X3]3(X= F, OH): A New 1D Germanate with 12-Ring Hexagonal Tubular Channels |
| Authors of publication | Pan, Qinhe; Li, Jiyang; Ren, Xiaoyan; Wang, Zhuopeng; Li, Guanghua; Yu, Jihong; Xu, Ruren |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2008 |
| Journal volume | 20 |
| Journal issue | 2 |
| Pages of publication | 370 |
| a | 18.8 ± 0.003 Å |
| b | 18.8 ± 0.003 Å |
| c | 14.147 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4330.2 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4001102.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 {}' |
4001102.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001102.cif |
| 41852 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001102 via cif-deposit CGI script. |
4001102.cif |
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