Crystallography Open Database

Information card for entry 4122718

Preview

Coordinates	4122718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H N O1.17 Zn0.67
Calculated formula	C2 H N O1.16667 Zn0.666667
Title of publication	Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.
Authors of publication	Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	41
Pages of publication	14465
a	20.1107 ± 0.0001 Å
b	20.1107 ± 0.0001 Å
c	20.1107 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	8133.58 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	196
Hermann-Mauguin space group symbol	F 2 3
Hall space group symbol	F 2 2 3
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.2041
Weighted residual factors for all reflections included in the refinement	0.2094
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179029 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/27.	4122718.cif
127030	2014-11-12	cif/ Updating files of 4122711, 4122712, 4122713, 4122714, 4122715, 4122716, 4122717, 4122718, 4122719, 4122720 Original log message: Adding full bibliography for 4122711--4122720.cif.	4122718.cif
124448	2014-10-01	cif/ Adding structures of 4122711, 4122712, 4122713, 4122714, 4122715, 4122716, 4122717, 4122718, 4122719, 4122720 via cif-deposit CGI script.	4122718.cif