Crystallography Open Database

Information card for entry 4325874

Preview

Coordinates	4325874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 Cl2 F4 Ir N6
Calculated formula	C36 H31 Cl2 F4 Ir N6
Title of publication	"Click" Synthesis of Heteroleptic Tris-Cyclometalated Iridium(III) Complexes: Cu(I) Triazolide Intermediates as Transmetalating Reagents
Authors of publication	Shuang Liu; Peter Müller; Michael K. Takase; Timothy M. Swager
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7598 - 7609
a	22.2313 ± 0.0008 Å
b	16.1839 ± 0.0006 Å
c	20.5272 ± 0.0008 Å
α	90°
β	116.927 ± 0.002°
γ	90°
Cell volume	6584.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.264
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325874.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325874.cif
46910	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325874 via cif-deposit CGI script.	4325874.cif