Crystallography Open Database

Information card for entry 1100151

Preview

Coordinates	1100151.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(2-methyllactato-O,O')(1,10-phenanthroline-N,N') copper(II) dihydrate
Formula	C20 H26 Cu N2 O8
Calculated formula	C20 H26 Cu N2 O8
Title of publication	Synthesis and structural characterization of the mixed ligand complex [Cu(HmL)2(phen)].2H2O (H2mL = 2-methyllactic acid)
Authors of publication	Carballo, Rosa; Covelo, Berta; VVázquez-López, Ezequiel M.; Castiñeiras, Alfonso; Niclos, Juan
Journal of publication	Zeitschrift für Naturforschung B
Year of publication	2003
Journal volume	58
Journal issue	1
Pages of publication	151 - 154
a	29.437 ± 0.004 Å
b	10.2477 ± 0.0014 Å
c	24.223 ± 0.003 Å
α	90°
β	111.758 ± 0.003°
γ	90°
Cell volume	6786.5 ± 1.6 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	0.1546
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	0.756
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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.	1100151.cif
175311	2016-01-30	cif/1/10/ (antanas@kurmis) Updating bibliography for entry 100151.	1100151.cif
171452	2015-12-11	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1.	1100151.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1100151.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	1100151.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.	1100151.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.	1100151.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/'	1100151.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1100151.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.	1100151.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)	1100151.cif