Crystallography Open Database

Information card for entry 4080668

Preview

Coordinates	4080668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H82 Cl2 F12 Ir2 N4 O2 P6
Calculated formula	C105 H82 Cl2 F12 Ir2 N4 O2 P6
Title of publication	Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators
Authors of publication	Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	10
Pages of publication	2908
a	20.9513 ± 0.0016 Å
b	20.9513 ± 0.0016 Å
c	41.583 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	18253 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178695 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/06.	4080668.cif
87259	2013-07-14	cif/ Adding structures of 4080667, 4080668, 4080669, 4080670, 4080671 via cif-deposit CGI script.	4080668.cif