Crystallography Open Database

Information card for entry 4325839

Preview

Coordinates	4325839.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CoI2(2,5-Mes2py)2
Formula	C46 H50 Co I2 N2
Calculated formula	C46 H50 Co I2 N2
SMILES	I[Co](I)([n]1cc(ccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[n]1cc(ccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Coordination Properties of 2,5-Dimesitylpyridine: An Encumbering and Versatile Ligand for Transition-Metal Chemistry
Authors of publication	Julia M. Stauber; Andrew L. Wadler; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7309 - 7316
a	23.298 ± 0.003 Å
b	20.346 ± 0.002 Å
c	18.482 ± 0.002 Å
α	90°
β	107.507 ± 0.002°
γ	90°
Cell volume	8355.1 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1201
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179361 (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 4/32/58.	4325839.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325839.cif
46875	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325839 via cif-deposit CGI script.	4325839.cif