Crystallography Open Database

Information card for entry 7110226

Preview

Coordinates	7110226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H45.5 B Ir N5 O0.75
Calculated formula	C54.5 H45 B Ir N5 O0.75
Title of publication	Increased phosphorescent quantum yields of cationic iridium(III) complexes by wisely controlling the counter anions
Authors of publication	Dongxin Ma; Lian Duan; Yongge Wei; Lei He; Liduo Wang; Yong Qiu
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	530
a	9.5427 ± 0.0019 Å
b	13.247 ± 0.003 Å
c	35.237 ± 0.007 Å
α	90°
β	93.01 ± 0.03°
γ	90°
Cell volume	4448.2 ± 1.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7110226.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110226.cif
92005	2014-01-10	cif/ Adding structures of 7110226, 7110227 via cif-deposit CGI script.	7110226.cif