Crystallography Open Database

Information card for entry 4503438

Preview

Coordinates	4503438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 N12 O18 Zn2
Calculated formula	C36 H32 N12 O18 Zn2
Title of publication	A Variety of 1D to 3D Metal−Organic Coordination Architectures Assembled with 1,1′-(2,2′-Oxybis(ethane-2,1-diyl))bis(1H-imidazole)
Authors of publication	Qi, Yan; Che, Yunxia; Luo, Feng; Batten, Stuart R.; Liu, Yang; Zheng, Jimin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	5
Pages of publication	1654
a	9.4863 ± 0.0019 Å
b	10.932 ± 0.002 Å
c	11.247 ± 0.002 Å
α	100.51 ± 0.03°
β	101.15 ± 0.03°
γ	112.01 ± 0.03°
Cell volume	1018.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.2027
Weighted residual factors for all reflections included in the refinement	0.2175
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
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
179565 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/34.	4503438.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503438.cif
41547	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503438 via cif-deposit CGI script.	4503438.cif