Crystallography Open Database

Information card for entry 7111759

Preview

Coordinates	7111759.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pentakis(trimethylphosphine)iridium(i) bis(3,5- trifluoromethyl) pyrazolate
Chemical name	pentakis(trimethylphosphine)iridium(I) bis(3,5-trifluoromethyl) pyrazolate
Formula	C20 H46 F6 Ir N2 P5
Calculated formula	C20 H46 F6 Ir N2 P5
Title of publication	Synthesis and structures of the homoleptic cations [M(PMe3)5]+ (M = Rh, Ir)
Authors of publication	Rivers, Joseph H.; Jones, Richard A.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	24
Pages of publication	4300 - 4302
a	9.4552 ± 0.0008 Å
b	12.086 ± 0.001 Å
c	14.515 ± 0.0013 Å
α	88.571 ± 0.003°
β	75.866 ± 0.002°
γ	77.06 ± 0.002°
Cell volume	1566.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1897
Weighted residual factors for all reflections included in the refinement	0.1996
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111759.cif
96767	2014-01-29	cif/ Adding structures of 7111756, 7111757, 7111758, 7111759 via cif-deposit CGI script.	7111759.cif