Crystallography Open Database

Information card for entry 7003649

Preview

Coordinates	7003649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H67 F12 N O2 P4 Pt2 S6
Calculated formula	C55 H67 F12 N O2 P4 Pt2 S6
Title of publication	Cyclometallated Pt(ii) and Pd(ii) complexes with a trithiacrown ligand
Authors of publication	Janzen, Daron E.; VanDerveer, Donald G.; Mehne, Larry F.; da Silva Filho, Demétrio A.; Brédas, Jean-Luc; Grant, Gregory J.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	14
Pages of publication	1872 - 1882
a	27.874 ± 0.006 Å
b	11.047 ± 0.002 Å
c	21.054 ± 0.004 Å
α	90°
β	108.81 ± 0.03°
γ	90°
Cell volume	6137 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179740 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/36.	7003649.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003649.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003649.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003649.cif