Crystallography Open Database

Information card for entry 4121899

4121898 << 4121899 >> 4121900

Preview

Coordinates	4121899.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZIF-7
Chemical name	ZIF-7
Formula	C14 H10 N4 O2.24 Zn
Calculated formula	C14 H10 N4 O2.24 Zn
Title of publication	Thermal Structural Transitions and Carbon Dioxide Adsorption Properties of Zeolitic Imidazolate Framework-7 (ZIF-7).
Authors of publication	Cai, Wanxi; Lee, Taehee; Lee, Maro; Cho, Woosuk; Han, Doug-Young; Choi, Nakwon; Yip, Alex C. K.; Choi, Jungkyu
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	22
Pages of publication	7961
a	22.989 ± 0.003 Å
b	22.989 ± 0.003 Å
c	15.763 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	7214.6 ± 1.9 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1711
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179020 (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 4/12/18.	4121899.cif
115793	2014-06-05	cif/ Updating files of 4121899 Original log message: Adding full bibliography for 4121899.cif.	4121899.cif
114383	2014-05-24	cif/ Adding structures of 4121899 via cif-deposit CGI script.	4121899.cif