Crystallography Open Database

Information card for entry 4325840

Preview

Coordinates	4325840.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CoBr2(THF)(2,5-Mes2py)2
Formula	C27 H33 Br2 Co N O
Calculated formula	C27 H33 Br2 Co N O
SMILES	Br[Co](Br)([n]1c(ccc(c1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[O]1CCCC1
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	18.454 ± 0.005 Å
b	9.218 ± 0.002 Å
c	16.758 ± 0.004 Å
α	90°
β	109.199 ± 0.003°
γ	90°
Cell volume	2692.1 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0954
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	4325840.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325840.cif
46876	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325840 via cif-deposit CGI script.	4325840.cif