Crystallography Open Database

Information card for entry 4511656

Preview

Coordinates	4511656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cu2 N2 O12
Calculated formula	C30 H26 Cu2 N2 O12
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	18.8743 ± 0.0016 Å
b	18.8743 ± 0.0016 Å
c	17.356 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6182.9 ± 1.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1562
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	4511656.cif
120542	2014-07-18	cif/ Adding structures of 4511656 via cif-deposit CGI script.	4511656.cif