Crystallography Open Database

Information card for entry 4329183

Preview

Coordinates	4329183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 N12 O12 Zn3
Calculated formula	C54 H42 N12 O12 Zn3
Title of publication	Low-Dimensional Porous Coordination Polymers Based on 1,2-Bis(4-pyridyl)hydrazine: From Structure Diversity to Ultrahigh CO2/CH4 Selectivity
Authors of publication	Xiao-Min Liu; Rui-Biao Lin; Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5686 - 5692
a	10.9425 ± 0.0013 Å
b	21.354 ± 0.002 Å
c	18.84 ± 0.002 Å
α	90°
β	105.218 ± 0.002°
γ	90°
Cell volume	4247.9 ± 0.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329183.cif
78223	2013-04-01	cif/ Adding structures of 4329183 via cif-deposit CGI script.	4329183.cif