Crystallography Open Database

Information card for entry 7113133

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Coordinates	7113133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H27 Cl Ir N2 O2
Calculated formula	C37.5 H27 Cl Ir N2 O2
Title of publication	Aggregation-induced phosphorescent emission (AIPE) of iridium(III) complexes
Authors of publication	Zhao, Qiang; Li, Lei; Li, Fuyou; Yu, Mengxiao; Liu, Zhipan; Yi, Tao; Huang, Chunhui
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2008
Journal issue	6
Pages of publication	685 - 687
a	10.877 ± 0.005 Å
b	11.769 ± 0.005 Å
c	12.418 ± 0.006 Å
α	92.106 ± 0.005°
β	94.577 ± 0.006°
γ	104.907 ± 0.005°
Cell volume	1528.5 ± 1.2 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	0.061
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7102871
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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