Crystallography Open Database

Information card for entry 4088192

Preview

Coordinates	4088192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 B2 Cl4 F8 Ir N6
Calculated formula	C28 H37 B2 Cl4 F8 Ir N6
Title of publication	Trifunctional pNHC, Imine, Pyridine Pincer-Type Iridium(III) Complexes: Synthetic, Structural, and Reactivity Studies
Authors of publication	He, Fan; Danopoulos, Andreas A.; Braunstein, Pierre
Journal of publication	Organometallics
Year of publication	2015
Journal volume	35
Journal issue	2
Pages of publication	198
a	12.037 ± 0.009 Å
b	12.849 ± 0.01 Å
c	14.281 ± 0.01 Å
α	77.179 ± 0.018°
β	71.935 ± 0.017°
γ	66.434 ± 0.018°
Cell volume	1913 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4088192.html