Crystallography Open Database

Information card for entry 4120936

4120935 << 4120936 >> 4120937

Preview

Coordinates	4120936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H57 Br Cl2 N4 Ni O2 P2
Calculated formula	C31 H57 Br Cl2 N4 Ni O2 P2
Title of publication	From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction
Authors of publication	Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	15617 - 15626
a	11.849 ± 0.0012 Å
b	12.0246 ± 0.0008 Å
c	14.9184 ± 0.0014 Å
α	96.481 ± 0.007°
β	108.989 ± 0.009°
γ	104.065 ± 0.007°
Cell volume	1906.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178986 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/09.	4120936.cif
107045	2014-03-17	cif/ Adding structures of 4120936 via cif-deposit CGI script.	4120936.cif