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Information card for entry 4500734
Preview
| Coordinates | 4500734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H3 Co2 N12 O6 |
|---|---|
| Calculated formula | C9 H3 Co2 N12 O6 |
| Title of publication | 3D Chiral Microporous (10,3)-a Topology Metal‒Organic Framework Containing Large Helical Channels |
| Authors of publication | Li, Mei-Na; Du, Dong-Ying; Yang, Guang-Sheng; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Qin, Jun-Sheng; Su, Zhong-Min |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 2510 |
| a | 18.64 ± 0.0018 Å |
| b | 18.64 ± 0.0018 Å |
| c | 18.64 ± 0.0019 Å |
| α | 90 ± 0.0017° |
| β | 90 ± 0.0016° |
| γ | 90 ± 0.0016° |
| Cell volume | 6476.5 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 213 |
| Hermann-Mauguin space group symbol | P 41 3 2 |
| Hall space group symbol | P 4bd 2ab 3 |
| Residual factor for all reflections | 0.0891 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4500734.cif |
| 179538 | 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 4/50/07. |
4500734.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500734.cif |
| 34614 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500734 via cif-deposit CGI script. |
4500734.cif |
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Users of the data should acknowledge the original authors of the
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