Crystallography Open Database

Information card for entry 4087756

Preview

Coordinates	4087756.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NiBr3dppb
Formula	C16.5 H15 Br1.5 Cl3 Ni0.5 P
Calculated formula	C16.5 H15 Br1.5 Cl3 Ni0.5 P
Title of publication	Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere
Authors of publication	Hwang, Seung Jun; Anderson, Bryce L.; Powers, David C.; Maher, Andrew G.; Hadt, Ryan G.; Nocera, Daniel G.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	19
Pages of publication	4766
a	8.7809 ± 0.0004 Å
b	21.4011 ± 0.0011 Å
c	10.6362 ± 0.0005 Å
α	90°
β	113.372 ± 0.0007°
γ	90°
Cell volume	1834.76 ± 0.15 Å³
Cell temperature	15 ± 2 K
Ambient diffraction temperature	15 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236987 (current)	2019-11-24	cif/ Adding structures of 4087755, 4087756, 4087757, 4087758 via cif-deposit CGI script.	4087756.cif