Crystallography Open Database

Information card for entry 4063714

Preview

Coordinates	4063714.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(CF3PCP)Ir(dfmp)(H)2
Formula	C17 H12 F22 Ir P3
Calculated formula	C17 H12 F22 Ir P3
Title of publication	Acceptor PCP Pincer Iridium(I) Chemistry: Stabilization of Nonmeridional PCP Coordination Geometries
Authors of publication	Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	4
Pages of publication	697
a	15.6431 ± 0.0001 Å
b	16.5662 ± 0.0001 Å
c	17.2591 ± 0.0002 Å
α	102.428 ± 0.001°
β	106.589 ± 0.001°
γ	105.356 ± 0.001°
Cell volume	3923.45 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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/4063714.html