Crystallography Open Database

Information card for entry 4120937

4120936 << 4120937 >> 4120938

Preview

Coordinates	4120937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H168 Br2 Cu2 N8 Ni2 O4 Si4
Calculated formula	C123 H168 Br2 Cu2 N8 Ni2 O4 Si4
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	34.2351 ± 0.0008 Å
b	19.3827 ± 0.0003 Å
c	18.1672 ± 0.0003 Å
α	90°
β	92.62 ± 0.002°
γ	90°
Cell volume	12042.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.0898
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.535
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4120937.cif
107046	2014-03-17	cif/ Adding structures of 4120937 via cif-deposit CGI script.	4120937.cif