Crystallography Open Database

Information card for entry 4071325

Preview

Coordinates	4071325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 Cl F3 Ir N2 O2
Calculated formula	C18 H13 Cl F3 Ir N2 O2
Title of publication	Rhodium and Iridium Complexes of Abnormal N-Heterocyclic Carbenes Derived from Imidazo[1,2-a]pyridine
Authors of publication	Song, Guoyong; Zhang, Yao; Li, Xingwei
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1936
a	14.2118 ± 0.0006 Å
b	8.7062 ± 0.0003 Å
c	15.8811 ± 0.0006 Å
α	90°
β	110.789 ± 0.002°
γ	90°
Cell volume	1837.05 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0365
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
178602 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13.	4071325.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071325.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071325.cif
43154	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071325 via cif-deposit CGI script.	4071325.cif