Crystallography Open Database

Information card for entry 4067246

Preview

Coordinates	4067246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H41 Cl4 N3 O2 Pt2 S
Calculated formula	C31 H41 Cl4 N3 O2 Pt2 S
SMILES	[Pt]1(Cl)(Cl)([n]2c(cc(cc2C)C)C)[CH]2CN(S(=O)(=O)c3ccc(cc3)C)C[CH]3[Pt](Cl)(Cl)([n]4c(cc(cc4C)C)C)[CH]=3CC[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	7.657 ± 0.003 Å
b	13.343 ± 0.005 Å
c	18.092 ± 0.006 Å
α	102.958 ± 0.009°
β	98.22 ± 0.008°
γ	93.728 ± 0.008°
Cell volume	1773.8 ± 1.1 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.0994
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71075 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.	4067246.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067246.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067246.cif
34130	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067243, 4067244, 4067245, 4067246 via cif-deposit CGI script.	4067246.cif