Crystallography Open Database

Information card for entry 7238977

Preview

Coordinates	7238977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H21 B Cl2 F2 Ir N3 O3
Calculated formula	C29 H21 B Cl2 F2 Ir N3 O3
Title of publication	Heteronuclear phosphorescent iridium(iii) complexes with tunable photophysical and excited-state properties by chelating BF2 moiety for application in bioimaging
Authors of publication	Sun, Huibin; Yang, Lijuan; Yang, Huiran; Liu, Shujuan; Xu, Wenjuan; Liu, Xiangmei; Tu, Zhenzhen; Su, Haiquan; Zhao, Qiang; Huang, Wei
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	23
Pages of publication	8766
a	12.522 ± 0.003 Å
b	22.397 ± 0.005 Å
c	9.999 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2804.3 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244489 (current)	2019-11-28	cif/ Adding structures of 7238977 via cif-deposit CGI script.	7238977.cif