Crystallography Open Database

Information card for entry 4111267

Preview

Coordinates	4111267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N6 O6 Zn
Calculated formula	C28 H30 N6 O6 Zn
Title of publication	TCNQ Dianion-Based Coordination Polymer Whose Open Framework Shows Charge-Transfer Type Guest Inclusion
Authors of publication	Satoru Shimomura; Ryotaro Matsuda; Takashi Tsujino; Takashi Kawamura; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16416 - 16417
a	17.355 ± 0.001 Å
b	17.355 ± 0.001 Å
c	22.74 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6849.2 ± 0.8 Å³
Cell temperature	213.1 K
Number of distinct elements	5
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	4111267.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111267.cif
60792	2012-06-18	cif/ Adding structures of 4111267 via cif-deposit CGI script.	4111267.cif