Crystallography Open Database

Information card for entry 4344430

Preview

Coordinates	4344430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H34 Cl8 Ir N3
Calculated formula	C31 H34 Cl8 Ir N3
Title of publication	Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes.
Authors of publication	Liao, Jia-Ling; Chi, Yun; Sie, Zong-Ting; Ku, Chia-Hao; Chang, Chih-Hao; Fox, Mark A.; Low, Paul J.; Tseng, Meu-Rurng; Lee, Gene-Hsiang
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10811 - 10821
a	22.8121 ± 0.001 Å
b	11.8525 ± 0.0005 Å
c	27.9109 ± 0.0012 Å
α	90°
β	103.038 ± 0.001°
γ	90°
Cell volume	7352 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4344430.cif
170785	2015-12-06	cif/ Updating files of 4344430, 4344431, 4344432 Original log message: Adding full bibliography for 4344430--4344432.cif.	4344430.cif
169970	2015-11-04	cif/ Adding structures of 4344430, 4344431, 4344432 via cif-deposit CGI script.	4344430.cif