Crystallography Open Database

Information card for entry 4319146

4319145 << 4319146 >> 4319147

Preview

Coordinates	4319146.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PtCl2(C15H14N2O)2
Formula	C30 H28 Cl2 N4 O2 Pt
Calculated formula	C30 H28 Cl2 N4 O2 Pt
SMILES	Cl[Pt]([N]1[C@@H](c2ccccc2)N(C)OC=1c1ccccc1)([N]1[C@H](c2ccccc2)N(C)OC=1c1ccccc1)Cl
Title of publication	[2 + 3] Cycloaddition of Nitrones to Platinum-Bound Organonitriles: Effect of Metal Oxidation State and of Nitrile Substituent
Authors of publication	Gabriele Wagner; Matti Haukka; João J. R. Fraústo da Silva; Armando J. L. Pombeiro; Vadim Yu. Kukushkin
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	264 - 271
a	8.9689 ± 0.0009 Å
b	9.1365 ± 0.0005 Å
c	10.1846 ± 0.001 Å
α	64.328 ± 0.006°
β	72.532 ± 0.004°
γ	67.744 ± 0.006°
Cell volume	686.82 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179271 (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 4/31/91.	4319146.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319146.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319146.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' ) &	4319146.cif
15878	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319146 via cif-deposit CGI script.	4319146.cif