Crystallography Open Database

Information card for entry 2311942

2311941 << 2311942 >> 2311943

Preview

Coordinates	2311942.cif
Original IUCr paper	HTML

Structure parameters

Formula	C16 H16 Cl2 F4 N2 O2 Pt
Calculated formula	C16 H16 Cl2 F4 N2 O2 Pt
SMILES	[Pt]1([n]2c(c3[n]1ccc(c3)COCC(F)F)cc(cc2)COCC(F)F)(Cl)Cl
Title of publication	Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ<sup>2</sup>N,N'}dichloridopalladium and -platinum complexes.
Authors of publication	Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	930 - 936
a	7.7215 ± 0.0002 Å
b	16.5892 ± 0.0004 Å
c	28.1692 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3608.29 ± 0.16 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0245
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.0431
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
246179 (current)	2019-12-26	cif/ Adding structures of 2311941, 2311942 via cif-deposit CGI script.	2311942.cif