Crystallography Open Database

Information card for entry 7222968

Preview

Coordinates	7222968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cl2 N10 O0 Zn2
Calculated formula	C18 H12 Cl2 N10 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	9.0585 ± 0.0018 Å
b	11.245 ± 0.002 Å
c	11.283 ± 0.002 Å
α	94.55 ± 0.03°
β	108.18 ± 0.03°
γ	93.49 ± 0.03°
Cell volume	1084 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	7222968.cif
169174	2015-10-15	cif/ Adding structures of 7222967, 7222968, 7222969 via cif-deposit CGI script.	7222968.cif