Crystallography Open Database

Information card for entry 4120938

4120937 << 4120938 >> 4120939

Preview

Coordinates	4120938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H79 Br N4 Ni O2 Si2
Calculated formula	C50 H79 Br N4 Ni O2 Si2
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	9.0981 ± 0.0001 Å
b	25.6671 ± 0.0002 Å
c	22.5949 ± 0.0002 Å
α	90°
β	91.417 ± 0.001°
γ	90°
Cell volume	5274.79 ± 0.09 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.447
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.	4120938.cif
107047	2014-03-17	cif/ Adding structures of 4120938 via cif-deposit CGI script.	4120938.cif