Crystallography Open Database

Information card for entry 4109825

Preview

Coordinates	4109825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H25 Co1.3 Li1.4 N4 O12
Calculated formula	C29 H25 Co1.3 Li1.4 N4 O12
Title of publication	Anion Control in the Ionothermal Synthesis of Coordination Polymers
Authors of publication	Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10334 - 10335
a	15.425 ± 0.002 Å
b	12.1842 ± 0.0016 Å
c	16.059 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3018.1 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.198
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
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.	4109825.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109825.cif
58603	2012-05-29	cif/ Adding structures of 4109825 via cif-deposit CGI script.	4109825.cif