Crystallography Open Database

Information card for entry 4334273

Preview

Coordinates	4334273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H24 N2 O12 S2 Zn2
Calculated formula	C38 H24 N2 O12 S2 Zn2
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	28.271 ± 0.006 Å
b	22.155 ± 0.004 Å
c	12.549 ± 0.003 Å
α	90°
β	104.764 ± 0.002°
γ	90°
Cell volume	7600 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.2479
Weighted residual factors for all reflections included in the refinement	0.2585
Goodness-of-fit parameter for all reflections included in the refinement	1.699
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
179445 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334273.cif
100090	2014-02-04	cif/ Adding structures of 4334273 via cif-deposit CGI script.	4334273.cif