Crystallography Open Database

Information card for entry 4334424

Preview

Coordinates	4334424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H31 N5 O13 Zn2
Calculated formula	C41 H31 N5 O13 Zn2
Title of publication	Two-Dimensional Charge-Separated Metal-Organic Framework for Hysteretic and Modulated Sorption
Authors of publication	Sujuan Wang; Qiuli Yang; Jianyong Zhang; Xuepeng Zhang; Cunyuan Zhao; Long Jiang; Cheng-Yong Su
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4198 - 4204
a	25.843 ± 0.003 Å
b	8.6601 ± 0.0004 Å
c	17.4254 ± 0.0011 Å
α	90°
β	102.435 ± 0.009°
γ	90°
Cell volume	3808.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0911
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2188
Weighted residual factors for all reflections included in the refinement	0.2298
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179447 (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 4/33/44.	4334424.cif
100251	2014-02-04	cif/ Adding structures of 4334424 via cif-deposit CGI script.	4334424.cif