Crystallography Open Database

Information card for entry 4310889

Preview

Coordinates	4310889.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	none
Chemical name	tetrakis(dimethylformamide)lithium tetrakis (mu2-2-mercaptopyridinate)chlorochromium(II)platinate(II)
Formula	C32 H44 Cl Cr Li N8 O4 Pt S4
Calculated formula	C32 H44 Cl Cr Li N8 O4 Pt S4
SMILES	c12cccc[n]1[Cr]134[Pt](S2)(Sc2cccc[n]12)(Sc1cccc[n]31)Sc1cccc[n]41.[Li]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[Cl-]
Title of publication	Crystallographic Evidence for Chromium-Platinum Interaction
Authors of publication	Thomas A. Scott; Besma Abbaoui; Hong-Cai Zhou
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2459 - 2461
a	12.5717 ± 0.0003 Å
b	12.5717 ± 0.0003 Å
c	12.5475 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1983.1 ± 0.12 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	9
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0131
Residual factor for significantly intense reflections	0.013
Weighted residual factors for significantly intense reflections	0.0337
Weighted residual factors for all reflections included in the refinement	0.0337
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179147 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/08.	4310889.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4310889.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310889.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310889.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	4310889.cif
11788	2011-02-22	cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script.	4310889.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.	4310889.cif
2381	2010-11-10	../uploads/cif-deposit/cod/cif Adding structures of 4310889 via cif-deposit CGI script.	4310889.cif