Crystallography Open Database

Information card for entry 4111131

Preview

Coordinates	4111131.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co(4-quindpm)~3~
Formula	C54 H36 Co N9
Calculated formula	C54 H36 Co N9
SMILES	c1ccn2[Co]34([n]5cccc5=C(c12)c1c2ccccc2ncc1)([n]1cccc1=C(c1cccn31)c1c2ccccc2ncc1)[n]1cccc1=C(c1cccn41)c1c2ccccc2ncc1
Title of publication	Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design
Authors of publication	Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15255 - 15268
a	25.322 ± 0.005 Å
b	25.322 ± 0.005 Å
c	14.746 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	8188 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.2469
Weighted residual factors for all reflections included in the refinement	0.2615
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
178882 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11.	4111131.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111131.cif
60655	2012-06-15	cif/ Adding structures of 4111131 via cif-deposit CGI script.	4111131.cif