Crystallography Open Database

Information card for entry 2020781

2020780 << 2020781 >> 2020782

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Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquabis(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>]
Formula	C24 H12 Cd F10 N2 O6
Calculated formula	C24 H12 Cd F10 N2 O6
SMILES	[Cd](OC(=O)c1c(F)c(F)c(F)c(F)c1F)([OH2])(OC(=O)c1c(F)c(F)c(F)c(F)c1F)([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Cd](OC(=O)c1c(F)c(F)c(F)c(F)c1F)([OH2])(OC(=O)c1c(F)c(F)c(F)c(F)c1F)([OH2])[n]1ccc(cc1)c1ccncc1
Title of publication	Two cadmium(II) fluorous coordination compounds tuned by different bipyridines
Authors of publication	Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	5
Pages of publication	424 - 429
a	21.402 ± 0.005 Å
b	11.711 ± 0.002 Å
c	10.955 ± 0.002 Å
α	90°
β	106.639 ± 0.003°
γ	90°
Cell volume	2630.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199073 (current)	2017-07-25	cif/ hkl/ Adding structures of 2020780, 2020781 via cif-deposit CGI script.	2020781.cif 2020781.hkl