Crystallography Open Database

Information card for entry 4072048

4072047 << 4072048 >> 4072049

Preview

Coordinates	4072048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 Br Ni P2
Calculated formula	C20 H35 Br Ni P2
SMILES	Br[Ni]12c3c(C[P]1(C(C)C)C(C)C)cccc3C[P]2(C(C)C)C(C)C
Title of publication	Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents
Authors of publication	Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	21
Pages of publication	5723
a	25.2547 ± 0.0003 Å
b	25.2547 ± 0.0003 Å
c	20.6154 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	11386.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4072048.html