Crystallography Open Database

Information card for entry 4118072

Preview

Coordinates	4118072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6.5 N1.5 O3 Zn0.5
Calculated formula	C10 H6.5 N1.5 O3 Zn0.5
Title of publication	Dense Coordination Network Capable of Selective CO2 Capture from C1 and C2 Hydrocarbons
Authors of publication	Satoshi Horike; Keisuke Kishida; Yoshihiro Watanabe; Yasutaka Inubushi; Daiki Umeyama; Masayuki Sugimoto; Tomohiro Fukushima; Munehiro Inukai; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9852 - 9855
a	7.699 ± 0.003 Å
b	17.608 ± 0.008 Å
c	15.09 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2045.7 ± 1.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.2109
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4118072.cif
75217	2013-03-08	cif/ Adding structures of 4118072 via cif-deposit CGI script.	4118072.cif