Crystallography Open Database

Information card for entry 7118930

Preview

Coordinates	7118930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 N8 O0 Zn
Calculated formula	C4 H6 N8 Zn
Title of publication	Diverse tetrahedral tetrazolate frameworks with N-rich surface.
Authors of publication	Tang, Yu-Huan; Wang, Fei; Liu, Jin-Xiu; Zhang, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	32
Pages of publication	5625 - 5628
a	17.0293 ± 0.0004 Å
b	17.0293 ± 0.0004 Å
c	17.0293 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4938.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
182613 (current)	2016-05-06	cif/ Updating files of 7118929, 7118930, 7118931, 7118932 Original log message: Adding full bibliography for 7118929--7118932.cif.	7118930.cif
178278	2016-03-18	cif/ Adding structures of 7118929, 7118930 via cif-deposit CGI script.	7118930.cif