Crystallography Open Database

Information card for entry 4309997

Preview

Coordinates	4309997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 F6 N P Pt S3
Calculated formula	C17 H20 F6 N P Pt S3
SMILES	[Pt]12(c3c(c4[n]1cccc4)cccc3)[S]1CCSCC[S]2CC1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cationic Five-Coordinate PtII Complexes as Donors in the Formation of Pt\ρightarrowAg Dative Bonds
Authors of publication	Daron E. Janzen; Larry F. Mehne; Donald G. VanDerveer; Gregory J. Grant
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8182 - 8184
a	11.944 ± 0.002 Å
b	12.122 ± 0.002 Å
c	28.012 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4055.7 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
179137 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/99.	4309997.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309997.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309997.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309997.cif