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Information card for entry 1100975
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Coordinates | 1100975.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Zn2Cl4(Me2biim)2] |
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Formula | C16 H20 Cl4 N8 Zn2 |
Calculated formula | C16 H20 Cl4 N8 Zn2 |
SMILES | [Zn]1(Cl)(Cl)[n]2c(n(cc2)C)c2[n]([Zn](Cl)(Cl)[n]3c(n(cc3)C)c3[n]1ccn3C)ccn2C |
Title of publication | A Series of Single, Double, and Triple Me2biim-Bridged Dinuclear, Trinuclear, and Polymeric Complexes: Syntheses, Crystal Structures, and Luminescent Properties |
Authors of publication | Ruili Sang; Li Xu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 3731 - 3737 |
a | 11.747 ± 0.003 Å |
b | 13.566 ± 0.004 Å |
c | 14.367 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2289.5 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1409 |
Weighted residual factors for all reflections included in the refinement | 0.1452 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1100975.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1100975.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100975.cif |
1523 | 2010-09-25 | cif/{1,4} Updating unambiguously identified Inorg. Chem. 2005 structures from the recent Web deposition. Corrdinates of the sructures are not changed, only the bibliograpy and crystallographic information has been updated. |
1100975.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1100975.cif |
907 | 2009-11-23 | cif/ Correcting unquoted string values starting with '['. The list of such COD entries was obtained from the PyCifRW parser error log: grep === ~/tests/pycifrw/all-cod-parse-errors.log \ | awk '{print $2}' \ | xargs perl -i -lpe "s/^(\s*)_(.*)(\s+)\[(.*)\$/\$1_\$2\$3'[\$4'/" The resulting entries were checked with 'vcif', 'cif_filter' (uses our CIFParser) and PyCifRW: svn st | grep ^M | awk '{print $NF}' | sort | xargs -n1 vcif -l 2048 svn st | grep ^M | awk '{print $NF}' | sort | xargs -n1 cif_filter > /dev/null svn st $(pwd) \ | grep ^M \ | awk '{print $NF}' \ | sort \ | xargs -n1 -iX sh -c 'cd ~/tests/pycifrw/; set -x; ./cif_reader.py X' No errors were found. |
1100975.cif |
853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
1100975.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1100975.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100975.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1100975.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1100975.cif |
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Users of the data should acknowledge the original authors of the
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