Crystallography Open Database

Information card for entry 4349003

Preview

Coordinates	4349003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H56 Cl2 F10 Ir N2 P3
Calculated formula	C67 H56 Cl2 F10 Ir N2 P3
Title of publication	Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands
Authors of publication	Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	2
Pages of publication	218
a	12.8447 ± 0.0004 Å
b	13.3798 ± 0.0007 Å
c	19.7895 ± 0.0011 Å
α	80.832 ± 0.006°
β	78.851 ± 0.006°
γ	66.667 ± 0.005°
Cell volume	3051 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233536 (current)	2019-11-23	cif/ Adding structures of 4348995, 4348996, 4348997, 4348998, 4348999, 4349000, 4349001, 4349002, 4349003 via cif-deposit CGI script.	4349003.cif