Crystallography Open Database

Information card for entry 4106576

Preview

Structure parameters

Common name	L(tBu)Co(PPh3)
Formula	C55 H73 Co N2 O0.5 P
Calculated formula	C55 H73 Co N2 O0.5 P
Title of publication	A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds
Authors of publication	Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12418 - 12421
a	21.782 ± 0.002 Å
b	12.8292 ± 0.0011 Å
c	17.205 ± 0.0015 Å
α	90°
β	96.28 ± 0.002°
γ	90°
Cell volume	4779 ± 0.7 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.1032
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4106576.cif
178811	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106576.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106576.cif
53378	2012-04-19	cif/ Adding structures of 4106576 via cif-deposit CGI script.	4106576.cif