Crystallography Open Database

Information card for entry 4069096

Preview

Coordinates	4069096.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(dtbpe)Ni(C{O}CH(C(CH3)3))
Formula	C24 H50 Ni O P2
Calculated formula	C24 H50 Ni O P2
SMILES	[Ni]12([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[O]=C2=CC(C)(C)C
Title of publication	Sequential Insertion Reactions of Carbon Monoxide and Ethylene into the Ni−C Bond of a Cationic Nickel(II) Alkyl Complex
Authors of publication	Curley, John J.; Kitiachvili, Kristina D.; Waterman, Rory; Hillhouse, Gregory L.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2568
a	13.0663 ± 0.001 Å
b	11.7101 ± 0.0009 Å
c	17.4885 ± 0.0014 Å
α	90°
β	93.644 ± 0.002°
γ	90°
Cell volume	2670.5 ± 0.4 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	0.0579
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4069096.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069096.cif
40128	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069095, 4069096, 4069097 via cif-deposit CGI script.	4069096.cif