Crystallography Open Database

Information card for entry 4067813

Preview

Coordinates	4067813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H86 B F4 N6 Ni P4
Calculated formula	C56 H86 B F4 N6 Ni P4
Title of publication	Stabilization of Nickel Complexes with Ni0···H‒N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands
Authors of publication	Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan; Raugei, Simone; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	144
a	13.4155 ± 0.0015 Å
b	13.7624 ± 0.0015 Å
c	19.175 ± 0.002 Å
α	86.22 ± 0.003°
β	70.099 ± 0.003°
γ	77.714 ± 0.003°
Cell volume	3252.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2735
Weighted residual factors for all reflections included in the refinement	0.2999
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
178569 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/78.	4067813.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067813.cif
37990	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4067812, 4067813, 4067814 via cif-deposit CGI script.	4067813.cif