Crystallography Open Database

Information card for entry 4511650

Preview

Coordinates	4511650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 Cu2 N3 O10.5
Calculated formula	C32.25 H12 Cu2 N3 O10.5
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	10.2527 ± 0.0012 Å
b	18.973 ± 0.002 Å
c	16.977 ± 0.002 Å
α	90°
β	100.46 ± 0.002°
γ	90°
Cell volume	3247.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1611
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.1967
Weighted residual factors for all reflections included in the refinement	0.2386
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4511650.cif
120536	2014-07-18	cif/ Adding structures of 4511650 via cif-deposit CGI script.	4511650.cif