Crystallography Open Database

Information card for entry 1516844

Preview

Coordinates	1516844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H6 N7 O2 Zn2
Calculated formula	C15 H6 N7 O2.02 Zn2
Title of publication	Spontaneous resolution of novel Zn complexes in the formation of 3D metal-organic frameworks based on 2,2'-biimidazole ligand
Authors of publication	Yu-Hui Tan; Ji-Si Wu; Chang-Shan Yang; Qiang-Ren Liu; Yun-Zhi Tang; Yong-Rui Zhong; Bao-Hui Ye
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	45 - 49
a	14.834 ± 0.0003 Å
b	14.834 ± 0.0003 Å
c	14.834 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3264.19 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	214
Hermann-Mauguin space group symbol	I 41 3 2
Hall space group symbol	I 4bd 2c 3
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0615
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
192141 (current)	2017-02-15	cif/1/51/68/ Adding DOIs for entries 1516844 and 1516845.	1516844.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516844.cif
119538	2014-07-07	cif/ Adding structures of 1516844 via cif-deposit CGI script.	1516844.cif