Crystallography Open Database

Information card for entry 4111191

Preview

Coordinates	4111191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 Co N8 O4 S2
Calculated formula	C32 H22 Co N8 O4 S2
Title of publication	Hydrogen-Bonded Porous Coordination Polymers: Structural Transformation, Sorption Properties, and Particle Size from Kinetic Studies
Authors of publication	Kazuhiro Uemura; Kazuya Saito; Susumu Kitagawa; Hidetoshi Kita
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16122 - 16130
a	11.371 ± 0.002 Å
b	10.063 ± 0.001 Å
c	15.5356 ± 0.0004 Å
α	90°
β	104.639 ± 0.0007°
γ	90°
Cell volume	1720 ± 0.4 Å³
Cell temperature	293.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.998
Diffraction radiation wavelength	0.7107 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.	4111191.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111191.cif
60716	2012-06-18	cif/ Adding structures of 4111191 via cif-deposit CGI script.	4111191.cif