Crystallography Open Database

Information card for entry 4325876

Preview

Coordinates	4325876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Cl3 F4 Ir N6 O
Calculated formula	C36 H34 Cl3 F4 Ir N6 O
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	12.9937 ± 0.0007 Å
b	10.5037 ± 0.0006 Å
c	13.4237 ± 0.0007 Å
α	90°
β	91.495 ± 0.001°
γ	90°
Cell volume	1831.47 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0186
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4325876.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325876.cif
46912	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325876 via cif-deposit CGI script.	4325876.cif