Crystallography Open Database

Information card for entry 7222969

Preview

Coordinates	7222969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 N8 O2 Zn2
Calculated formula	C8 H6 N8 O2 Zn2
Title of publication	Structure modulation in zinc-ditetrazolate coordination polymers by in situ ligand synthesis
Authors of publication	Li, Yunwu; Ma, huiyan; Wang, Suna; Xu, Jian; Li, Da-Cheng; Dou, Jianmin; Bu, Xian-He
Journal of publication	RSC Adv.
Year of publication	2015
a	8.1044 ± 0.0016 Å
b	16.023 ± 0.003 Å
c	10.137 ± 0.004 Å
α	90°
β	117.31 ± 0.02°
γ	90°
Cell volume	1169.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222969.cif
169174	2015-10-15	cif/ Adding structures of 7222967, 7222968, 7222969 via cif-deposit CGI script.	7222969.cif