Crystallography Open Database

Information card for entry 4066257

Preview

Coordinates	4066257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Ni P2 S2
Calculated formula	C38 H36 Ni P2 S2
SMILES	S([Ni]([P](C)(c1ccccc1)c1ccccc1)([P](C)(c1ccccc1)c1ccccc1)Sc1ccccc1)c1ccccc1
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	21.7484 ± 0.0015 Å
b	8.9734 ± 0.0006 Å
c	16.5363 ± 0.0011 Å
α	90°
β	100.638 ± 0.001°
γ	90°
Cell volume	3171.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	4066257.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066257.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066257.cif
33841	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066255, 4066256, 4066257, 4066258, 4066259 via cif-deposit CGI script.	4066257.cif