Crystallography Open Database

Information card for entry 4067243

Preview

Coordinates	4067243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 Cl2 N2 O2 Pt S
Calculated formula	C23 H30 Cl2 N2 O2 Pt S
SMILES	[Pt]1(Cl)(Cl)([n]2c(cc(cc2C)C)C)[CH]2CN(S(=O)(=O)c3ccc(cc3)C)CC=CCC[CH]1=2
Title of publication	A Unique Functional Group Transformation of Planar Chiral Diolefinic Organonitrogen Cycles Utilizing PtCl2(2,4,6-trimethylpyridine) Complexes
Authors of publication	Tomooka, Katsuhiko; Shimada, Maki; Uehara, Kazuhiro; Ito, Masato
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	24
Pages of publication	6632
a	8.029 ± 0.008 Å
b	13.059 ± 0.013 Å
c	13.179 ± 0.013 Å
α	80.77 ± 0.05°
β	82.94 ± 0.05°
γ	68.1 ± 0.03°
Cell volume	1263 ± 2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178563 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/72.	4067243.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067243.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067243.cif
34130	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067243, 4067244, 4067245, 4067246 via cif-deposit CGI script.	4067243.cif