Crystallography Open Database

Information card for entry 2020948

2020947 << 2020948 >> 2020949

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Structure parameters

Chemical name	Poly[diaquapentakis[μ-5,5'-bis(pyridin-4-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(nitrato-κ^2^<i>O</i>,<i>O</i>')tetrakis(μ~3~-4,4'-oxydibenzoato)-κ^10^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''';κ^6^<i>O</i>:<i>O</i>':<i>O</i>''-pentacadmium(II)]
Formula	C152 H110 Cd5 N14 O30 S10
Calculated formula	C146 H96 Cd5 N12 O28 S10
Title of publication	A new Cd^II^ coordination polymer with a self-penetrating architecture induced by the molecular conformation of a rigid bithiophene ligand
Authors of publication	Ji, Ning-Ning; Shi, Zhi-Qiang; Hu, Hai-Liang
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	2
a	14.444 ± 0.004 Å
b	17.342 ± 0.004 Å
c	19.351 ± 0.005 Å
α	68.318 ± 0.004°
β	70.484 ± 0.003°
γ	75.994 ± 0.003°
Cell volume	4206.4 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
205531 (current)	2018-01-24	cif/ hkl/ Adding structures of 2020948 via cif-deposit CGI script.	2020948.cif 2020948.hkl