Crystallography Open Database

Information card for entry 4120941

4120940 << 4120941 >> 4120942

Preview

Coordinates	4120941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H73 Br Ge2 N4 Ni O2
Calculated formula	C51 H73 Br Ge2 N4 Ni O2
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	9.1417 ± 0.0003 Å
b	22.4188 ± 0.0005 Å
c	26.2145 ± 0.0008 Å
α	90°
β	97.257 ± 0.003°
γ	90°
Cell volume	5329.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	4120941.cif
107050	2014-03-17	cif/ Adding structures of 4120941 via cif-deposit CGI script.	4120941.cif