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Information card for entry 7010171
Preview
| Coordinates | 7010171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | ? |
|---|---|
| Calculated formula | C208 H224 Br16 Cu8 N32 O40 |
| Title of publication | Macrocyclic effect upon site-selective CuIIMII or MIICuII core formation with unsymmetric phenol-based macrocyclic ligands |
| Authors of publication | Yonemura, Masami; Usuki, Naoki; Nakamura, Yuuki; Ohba, Masaaki; Ōkawa, Hisashi |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 20 |
| Pages of publication | 3624 |
| a | 23.676 ± 0.006 Å |
| b | 27.32 ± 0.01 Å |
| c | 8.951 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5790 ± 6 Å3 |
| Cell temperature | 23 K |
| Ambient diffraction temperature | 23 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.043 |
| Goodness-of-fit parameter for significantly intense reflections | 3.24 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288156 (current) | 2023-12-07 | cif/7/ Corrected the misspelt variants of the '_diffrn_standards_decay_%' data name in entries 7008963, 7008964, 7010171, 7010172, 7028687, 7028689, 7028690, 7028940, 7035844, 7051280, 7130783, 7216946. |
7010171.cif |
| 192778 | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5003). The correction was mainly focused on removing misspelt versions of the '_exptl_crystal_F_000' data item. |
7010171.cif |
| 179805 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/01. |
7010171.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010171.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010171.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' ) & |
7010171.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010171.cif |
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