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Information card for entry 4308026
Preview
| Coordinates | 4308026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MOF3 |
|---|---|
| Formula | C48 H28 Cd3 N6 O14 |
| Calculated formula | C48 H24 Cd3 N6 O14 |
| Title of publication | Construction of Robust Open Metal-Organic Frameworks with Chiral Channels and Permanent Porosity |
| Authors of publication | Daofeng Sun; Yanxiong Ke; David J. Collins; Gary A. Lorigan; Hong-Cai Zhou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 2725 - 2734 |
| a | 26.001 ± 0.003 Å |
| b | 26.001 ± 0.003 Å |
| c | 26.001 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 17578 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 212 |
| Hermann-Mauguin space group symbol | P 43 3 2 |
| Hall space group symbol | P 4acd 2ab 3 |
| Residual factor for all reflections | 0.1929 |
| Residual factor for significantly intense reflections | 0.1046 |
| Weighted residual factors for significantly intense reflections | 0.2709 |
| Weighted residual factors for all reflections included in the refinement | 0.3575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179118 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/80. |
4308026.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4308026.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308026.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308026.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
4308026.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4308026.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308026.cif |
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Users of the data should acknowledge the original authors of the
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