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Information card for entry 4319777
Preview
| Coordinates | 4319777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55.5 H55.5 Co1.5 N15 O9 |
|---|---|
| Calculated formula | C55.5 H55.5 Co1.5 N15 O9 |
| Title of publication | Two Versatile N,N'-Bipyridine-Type Ligands for Preparing Organic-Inorganic Coordination Polymers: New Cobalt- and Nickel-Containing Framework Materials |
| Authors of publication | Delia M. Ciurtin; Yu-Bin Dong; Mark D. Smith; Tosha Barclay; Hans-Conrad zur Loye |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2825 - 2834 |
| a | 22.76 ± 0.002 Å |
| b | 21.0103 ± 0.0019 Å |
| c | 25.521 ± 0.002 Å |
| α | 90° |
| β | 97.151 ± 0.002° |
| γ | 90° |
| Cell volume | 12109.1 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1915 |
| Weighted residual factors for all reflections included in the refinement | 0.203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4319777.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319777.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319777.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' ) & |
4319777.cif |
| 16578 | 2011-03-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4319777 via cif-deposit CGI script. |
4319777.cif |
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