Crystallography Open Database

Information card for entry 4309327

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Coordinates	4309327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H29 Cl2 F6 Ir N2 O2
Calculated formula	C40 H29 Cl2 F6 Ir N2 O2
Title of publication	Efficient Red-Emitting Cyclometalated Iridium(III) Complexes Containing Lepidine-Based Ligands
Authors of publication	K. R. Justin Thomas; Marappan Velusamy; Jiann T. Lin; Chin-Hsiung Chien; Yu-Tai Tao; Yuh S. Wen; Ya-Hui Hu; Pi-Tai Chou
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5677 - 5685
a	11.327 ± 0.0003 Å
b	11.8168 ± 0.0003 Å
c	15.9633 ± 0.0003 Å
α	69.546 ± 0.001°
β	71.194 ± 0.001°
γ	65.828 ± 0.001°
Cell volume	1785.81 ± 0.08 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 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	0.0869
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.2268
Weighted residual factors for all reflections included in the refinement	0.2447
Goodness-of-fit parameter for all reflections included in the refinement	1.315
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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