Crystallography Open Database

Information card for entry 4511653

Preview

Coordinates	4511653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Cl2 Cu2 N2 O8
Calculated formula	C34 H26 Cl2 Cu2 N2 O8
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	19.5148 ± 0.0014 Å
b	12.7678 ± 0.0009 Å
c	14.3466 ± 0.001 Å
α	90°
β	114.133 ± 0.001°
γ	90°
Cell volume	3262.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	0.904
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.	4511653.cif
120539	2014-07-18	cif/ Adding structures of 4511653 via cif-deposit CGI script.	4511653.cif