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Information card for entry 1100908
Preview
Coordinates | 1100908.cif |
---|---|
Structure factors | 1100908.hkl |
Original paper (by DOI) | HTML |
Chemical name | Aqua-bis(trans-2-butenoate)- bis(pyridine)copper(II) |
---|---|
Formula | C18 H22 Cu N2 O5 |
Calculated formula | C18 H22 Cu N2 O5 |
Title of publication | Aquabis(crotonato)bis(pyridine)copper(II) |
Authors of publication | Baggio, Ricardo; Foxman, Bruce; Garland, Maria Teresa; Perec, Mireille; Shang, Wen |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 11 |
Pages of publication | e505 - e506 |
a | 15.922 ± 0.002 Å |
b | 5.7331 ± 0.0008 Å |
c | 21.341 ± 0.003 Å |
α | 90° |
β | 91.097 ± 0.011° |
γ | 90° |
Cell volume | 1947.6 ± 0.5 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 | 0.041 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
1100908.cif 1100908.hkl |
175236 | 2016-01-28 | cif/ hkl/ Adding hkl file for entry 1100908. |
1100908.cif 1100908.hkl |
175233 | 2016-01-28 | cif/ (antanas@echidna.ibt.lt) Adding additional information from the original publication for entries 1100908, 2011543 and marking entry 2011543 as a duplicate of entry 1100908. |
1100908.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100908.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. |
1100908.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. |
1100908.cif |
177 | 2008-02-25 | 14 files corrected. |
1100908.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/' |
1100908.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100908.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. |
1100908.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) |
1100908.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.