Crystallography Open Database

Information card for entry 2020780

2020779 << 2020780 >> 2020781

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Coordinates	2020780.cif
Structure factors	2020780.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-2,3,4,5,6-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>']
Formula	C24 H10 Cd F10 N2 O5
Calculated formula	C24 H10 Cd F10 N2 O5
SMILES	[Cd]1(OC(=O)c2c(F)c(F)c(F)c(F)c2F)(OC(=O)c2c(F)c(F)c(F)c(F)c2F)([OH2])([n]2ccccc2c2[n]1cccc2)[O]=C(O[Cd]1(OC(=O)c2c(F)c(F)c(F)c(F)c2F)([OH2])[n]2ccccc2c2[n]1cccc2)c1c(F)c(F)c(F)c(F)c1F
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	12.9134 ± 0.0017 Å
b	21.035 ± 0.003 Å
c	9.1946 ± 0.0012 Å
α	90°
β	93.696 ± 0.002°
γ	90°
Cell volume	2492.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0438
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	2020780.cif 2020780.hkl