Crystallography Open Database

Information card for entry 4511654

Preview

Coordinates	4511654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cu2 O10 S4
Calculated formula	C26 H24 Cu2 O12 S2
Title of publication	Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism
Authors of publication	Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.
Journal of publication	Crystal Growth & Design
Year of publication	2003
Journal volume	3
Journal issue	4
Pages of publication	513
a	15.637 ± 0.004 Å
b	15.43 ± 0.004 Å
c	13.332 ± 0.003 Å
α	90°
β	116.692 ± 0.004°
γ	90°
Cell volume	2873.9 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.1229
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1709
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	No

Version history

Revision	Date	Message	Files
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511654.cif
120540	2014-07-18	cif/ Adding structures of 4511654 via cif-deposit CGI script.	4511654.cif