Crystallography Open Database

Information card for entry 4067244

Preview

Coordinates	4067244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 Cl2 N2 O2 Pt S
Calculated formula	C25 H34 Cl2 N2 O2 Pt S
SMILES	[Pt]1(Cl)(Cl)([n]2c(cc(cc2C)C)C)[C]2(CN(S(=O)(=O)c3ccc(cc3)C)CC=C(CC[CH]1=2)C)C
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	7.625 ± 0.007 Å
b	15.749 ± 0.013 Å
c	23.59 ± 0.02 Å
α	90°
β	101.158 ± 0.013°
γ	90°
Cell volume	2779 ± 4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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.	4067244.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067244.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067244.cif
34130	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067243, 4067244, 4067245, 4067246 via cif-deposit CGI script.	4067244.cif