Crystallography Open Database

Information card for entry 4334269

Preview

Coordinates	4334269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.5 H7 N0.5 O3 S0.5 Zn0.5
Calculated formula	C8.5 H7 N0.5 O3 S0.5 Zn0.5
Title of publication	Pore Design of Two-Dimensional Coordination Polymers toward Selective Adsorption
Authors of publication	Yuh Hijikata; Satoshi Horike; Masayuki Sugimoto; Munehiro Inukai; Tomohiro Fukushima; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3634 - 3642
a	22.033 ± 0.008 Å
b	12.691 ± 0.005 Å
c	9.603 ± 0.004 Å
α	90°
β	97.492 ± 0.005°
γ	90°
Cell volume	2662.3 ± 1.8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0907
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4334269.cif
100086	2014-02-04	cif/ Adding structures of 4334269 via cif-deposit CGI script.	4334269.cif