Crystallography Open Database

Information card for entry 4511652

Preview

Coordinates	4511652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Cu N O5
Calculated formula	C15.5556 H8 Cu0.888889 N0.888889 O3.55556
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	18.7912 ± 0.0008 Å
b	18.7912 ± 0.0008 Å
c	16.8886 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5963.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.068
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	0.866
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.	4511652.cif
120538	2014-07-18	cif/ Adding structures of 4511652 via cif-deposit CGI script.	4511652.cif