Crystallography Open Database

Information card for entry 4082477

Preview

Coordinates	4082477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H42 Cl2 O2 Pt S2
Calculated formula	C35 H42 Cl2 O2 Pt S2
SMILES	[Pt]1([S](=O)(c2c(c3c(cc2)cccc3)c2c([S]1(=O)C1CCCCC1)ccc1ccccc21)C1CCCCC1)(C)C.ClCCl
Title of publication	Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes
Authors of publication	Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	627
a	16.63117 ± 0.00016 Å
b	13.51188 ± 0.00011 Å
c	14.73229 ± 0.00012 Å
α	90°
β	100.408 ± 0.0009°
γ	90°
Cell volume	3256.15 ± 0.05 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0479
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
178713 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24.	4082477.cif
104416	2014-03-11	cif/ Adding structures of 4082472, 4082473, 4082474, 4082475, 4082476, 4082477 via cif-deposit CGI script.	4082477.cif