Crystallography Open Database

Information card for entry 7114577

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Coordinates	7114577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H46 F12 Ir2 N8 P2
Calculated formula	C62 H42 F12 Ir2 N8 P2
Title of publication	New ionic dinuclear Ir(III) Schiff base complexes with aggregation-induced phosphorescent emission (AIPE)
Authors of publication	Guangfu Li; Yong Wu; Guogang Shan; Weilong Che; Dongxia Zhu; Baiqiao Song; Likai Yan; Zhongmin Su; Martin R. Bryce
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	6977
a	16.075 ± 0.005 Å
b	22.454 ± 0.006 Å
c	16.949 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6118 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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