Crystallography Open Database

Information card for entry 4109909

Preview

Coordinates	4109909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H22 N10 Zn
Calculated formula	C40 H22 N10 Zn
Title of publication	Guest-Specific Function of a Flexible Undulating Channel in a 7,7,8,8-Tetracyano-p-quinodimethane Dimer-Based Porous Coordination Polymer
Authors of publication	Satoru Shimomura; Satoshi Horike; Ryotaro Matsuda; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10990 - 10991
a	11.361 ± 0.005 Å
b	12.645 ± 0.006 Å
c	14.775 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2122.6 ± 1.7 Å³
Cell temperature	223.1 K
Number of distinct elements	4
Space group number	49
Hermann-Mauguin space group symbol	P c c m
Hall space group symbol	-P 2 2c
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	4109909.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109909.cif
58687	2012-05-29	cif/ Adding structures of 4109909 via cif-deposit CGI script.	4109909.cif