Crystallography Open Database

Information card for entry 4064185

Preview

Coordinates	4064185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H41 N P2 Pt S
Calculated formula	C27 H41 N P2 Pt S
SMILES	C1(S[Pt]2(C=CC=1)[P](CC[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)c1cccc2cccnc12
Title of publication	C−H and C−S Activations of Quinoline-Functionalized Thiophenes by Platinum Complexes
Authors of publication	Tan, Runyu; Song, Datong
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1637
a	17.3049 ± 0.0006 Å
b	9.9102 ± 0.0003 Å
c	16.1325 ± 0.0008 Å
α	90°
β	100.411 ± 0.002°
γ	90°
Cell volume	2721.1 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0418
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
178535 (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 4/06/41.	4064185.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064185.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064185.cif
32809	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064182, 4064183, 4064184, 4064185, 4064186 via cif-deposit CGI script.	4064185.cif