Crystallography Open Database

Information card for entry 4072443

Preview

Coordinates	4072443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 Cl2 F N2 O Pt S
Calculated formula	C13 H17 Cl2 F N2 O Pt S
SMILES	[Pt](Cl)(Cl)(=C1N(C)C=CN1Cc1ccc(F)cc1)[S](C)(=O)C
Title of publication	Synthesis of Mixed NHC/L Platinum(II) Complexes: Restricted Rotation of the NHC Group
Authors of publication	Newman, Christopher P.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	25
Pages of publication	6225
a	9.8204 ± 0.0008 Å
b	12.5661 ± 0.001 Å
c	20.7877 ± 0.0017 Å
α	97.024 ± 0.002°
β	91.985 ± 0.002°
γ	91.27 ± 0.002°
Cell volume	2543.6 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
178613 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/24.	4072443.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072443.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072443.cif
45148	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4072442, 4072443, 4072444, 4072445, 4072446 via cif-deposit CGI script.	4072443.cif