Crystallography Open Database

Information card for entry 7118099

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Coordinates	7118099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H51 Cl10 Ir2 N16 O8.5
Calculated formula	C64 H51 Cl10 Ir2 N16 O8.5
Title of publication	Anion-specific aggregation induced phosphorescence emission (AIPE) in an ionic iridium complex in aqueous media
Authors of publication	Guangfu Li; Wei Guan; Shuang Du; Dongxia Zhu; Guogang Shan; Xiaojuan Zhu; Likai Yan; Zhongmin Su; Martin R. Bryce; Andrew P. Monkmand
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	16924
a	16.263 ± 0.003 Å
b	16.337 ± 0.003 Å
c	17.18 ± 0.003 Å
α	99.21 ± 0.03°
β	117.64 ± 0.03°
γ	103.45 ± 0.03°
Cell volume	3738 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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