Crystallography Open Database

Information card for entry 4066258

Preview

Coordinates	4066258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H64 Ni P2 S2
Calculated formula	C36 H64 Ni P2 S2
SMILES	[Ni]([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)(Sc1ccccc1)Sc1ccccc1
Title of publication	Ni(acac)2/Phosphine as an Excellent Precursor of Nickel(0) for Catalytic Systems†
Authors of publication	Ananikov, Valentine P.; Gayduk, Konstantin A.; Starikova, Zoya A.; Beletskaya, Irina P.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5098
a	8.2875 ± 0.0005 Å
b	10.2177 ± 0.0006 Å
c	11.7515 ± 0.0007 Å
α	77.776 ± 0.001°
β	87.051 ± 0.001°
γ	84.876 ± 0.001°
Cell volume	968.12 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
178554 (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 4/06/62.	4066258.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066258.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066258.cif
33841	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066255, 4066256, 4066257, 4066258, 4066259 via cif-deposit CGI script.	4066258.cif