Crystallography Open Database

Information card for entry 2021940

2021939 << 2021940 >> 2021941

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Structure parameters

Chemical name	<i>catena</i>-Poly[μ-aqua-bis[μ-5,5'-bis(1<i>H</i>-imidazol-1-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(μ~3~-4,4'-oxydibenzoato)-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'';κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>'-dicopper(II)]
Formula	C42 H28 Cu2 N4 O11 S2
Calculated formula	C42 H28 Cu2 N4 O11 S2
Title of publication	One-pot concomitant preparation of two copper(II) coordination polymers with different configurations of bridging bithiophene ligands
Authors of publication	Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	1
Pages of publication	37 - 43
a	11.14 ± 0.003 Å
b	12.522 ± 0.004 Å
c	14.911 ± 0.005 Å
α	74.487 ± 0.005°
β	87.709 ± 0.005°
γ	79.511 ± 0.006°
Cell volume	1970.7 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.047
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
246410 (current)	2020-01-01	cif/ hkl/ Adding structures of 2021939, 2021940 via cif-deposit CGI script.	2021940.cif 2021940.hkl