Crystallography Open Database

Information card for entry 2311939

2311938 << 2311939 >> 2311940

Preview

Coordinates	2311939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Cl2 F6 N2 O2 Pd
Calculated formula	C16 H14 Cl2 F6 N2 O2 Pd
SMILES	c1cc(COCC(F)(F)F)cc2c3cc(COCC(F)(F)F)cc[n]3[Pd]([n]12)(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	9.218 ± 0.0009 Å
b	17.4137 ± 0.0018 Å
c	12.1884 ± 0.0012 Å
α	90°
β	100.992 ± 0.004°
γ	90°
Cell volume	1920.6 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.85
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
246177 (current)	2019-12-26	cif/ Adding structures of 2311939 via cif-deposit CGI script.	2311939.cif