Crystallography Open Database

Information card for entry 4312005

4312004 << 4312005 >> 4312006

Preview

Coordinates	4312005.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Chugaev's PF6 salt dichloromethane solvate
Formula	C8.98 H16.95 Cl1.95 F6 N6 P Pt
Calculated formula	C8.975 H16.95 Cl1.95 F6 N6 P Pt
Title of publication	Effects of Pt...Pt Bonding, Anions, Solvate Molecules, and Hydrogen Bonding on the Self-Association of Chugaev's Cation, a Platinum Complex with a Chelating Carbene Ligand
Authors of publication	Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7508 - 7515
a	10.681 ± 0.003 Å
b	19.021 ± 0.006 Å
c	20.62 ± 0.007 Å
α	90°
β	90.446 ± 0.007°
γ	90°
Cell volume	4189 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.1919
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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
179159 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/20.	4312005.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312005.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312005.cif
3507	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312005 via cif-deposit CGI script.	4312005.cif