Crystallography Open Database

Information card for entry 2311941

2311940 << 2311941 >> 2311942

Preview

Coordinates	2311941.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	{4,4'-Bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'}dichloridopalladium and -platinum
Formula	C16 H16 Cl2 F4 N2 O2 Pd
Calculated formula	C16 H16 Cl2 F4 N2 O2 Pd
SMILES	[Pd]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	7.7401 ± 0.0002 Å
b	16.5086 ± 0.0004 Å
c	28.3013 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3616.29 ± 0.16 Å³
Cell temperature	295 ± 0.1 K
Ambient diffraction temperature	295 ± 0.1 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	0.0298
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	2311941.cif