Crystallography Open Database

Information card for entry 4071665

Preview

Coordinates	4071665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 Ni P2
Calculated formula	C16 H38 Ni P2
SMILES	C[Ni]1(C)[P](C(C)C)(C(C)C)CC[P]1(C(C)C)C(C)C
Title of publication	Exploring Trifluoromethylation Reactions at Nickel: A Structural and Reactivity Study
Authors of publication	Dubinina, Galyna G.; Brennessel, William W.; Miller, Jennifer L.; Vicic, David A.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3933
a	12.837 ± 0.007 Å
b	8.514 ± 0.005 Å
c	17.74 ± 0.01 Å
α	90°
β	96.954 ± 0.011°
γ	90°
Cell volume	1924.6 ± 1.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.0704
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178605 (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 4/07/16.	4071665.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071665.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071665.cif
43965	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071665 via cif-deposit CGI script.	4071665.cif