Crystallography Open Database

Information card for entry 2020039

2020038 << 2020039 >> 2020040

Preview

Structure parameters

Chemical name	Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(4-aminobenzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]
Formula	C38 H34 Cd2 N6 O8
Calculated formula	C38 H34 Cd2 N6 O8
SMILES	[Cd]123([n]4c(c5[n]1cccc5)cccc4)([O]=C(O2)c1ccc(N)cc1)[O]=C(O[Cd]12([n]4ccccc4c4[n]1cccc4)([O]=C(O2)c1ccc(N)cc1)[O]=C(O3)C)C
Title of publication	Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands
Authors of publication	Zhou, Dong-Mei; Zhao, Xiao-Lan; Liu, Feng-Yi; Kou, Jun-Feng
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	8
a	21.143 ± 0.004 Å
b	8.0696 ± 0.0016 Å
c	21.473 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3663.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
181870 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00	2020039.cif 2020039.hkl
141457	2015-07-09	cif/ hkl/ Adding structures of 2020037, 2020038, 2020039 via cif-deposit CGI script.	2020039.cif 2020039.hkl