Crystallography Open Database

Information card for entry 4075911

Preview

Coordinates	4075911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H63 B Ni P2
Calculated formula	C73 H63 B Ni P2
SMILES	[Ni]12([C]3(=[CH]1C2c1ccccc31)CCC=C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities
Authors of publication	Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	16
Pages of publication	4003
a	10.3056 ± 0.0007 Å
b	16.2965 ± 0.0011 Å
c	33.568 ± 0.002 Å
α	90°
β	96.119 ± 0.005°
γ	90°
Cell volume	5605.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1059
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1966
Weighted residual factors for all reflections included in the refinement	0.2172
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178648 (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 4/07/59.	4075911.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075911.cif
50740	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075911 via cif-deposit CGI script.	4075911.cif