Crystallography Open Database

Information card for entry 4072259

Preview

Coordinates	4072259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 F12 N14 Ni2 P2
Calculated formula	C30 H36 F12 N14 Ni2 P2
Title of publication	Dinickel(II) Complexes of Bis(N-heterocyclic carbene) Ligands Containing [Ni2(μ-OH)] Cores as Highly Efficient Catalysts for the Coupling of Aryl Chlorides
Authors of publication	Zhou, Yongbo; Xi, Zhenxing; Chen, Wanzhi; Wang, Daqi
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	22
Pages of publication	5911
a	7.775 ± 0.006 Å
b	11.533 ± 0.008 Å
c	12.12 ± 0.009 Å
α	75.005 ± 0.009°
β	73.448 ± 0.008°
γ	84.909 ± 0.008°
Cell volume	1006.1 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
178611 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/22.	4072259.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072259.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072259.cif
44309	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072259, 4072260, 4072261 via cif-deposit CGI script.	4072259.cif