Crystallography Open Database

Information card for entry 4104748

Preview

Coordinates	4104748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H45 F6 N2 Ni P3
Calculated formula	C29 H45 F6 N2 Ni P3
Title of publication	Noninnocent Behavior of Ancillary Ligands: Apparent Trans Coupling of a Saturated N-Heterocyclic Carbene Unit with an Ethyl Ligand Mediated by Nickel
Authors of publication	Tobias Steinke; Bryan K. Shaw; Howard Jong; Brian O. Patrick; Michael D. Fryzuk; Jennifer C. Green
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10461 - 10466
a	40.497 ± 0.001 Å
b	17.8762 ± 0.0006 Å
c	18.4624 ± 0.0007 Å
α	90°
β	101.81 ± 0.002°
γ	90°
Cell volume	13082.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178793 (current)	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 4/10/47.	4104748.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104748.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104748.cif
29778	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104748 via cif-deposit CGI script.	4104748.cif