Crystallography Open Database

Information card for entry 7055411

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Coordinates	7055411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H23 Cl3 F10 Ir N8 P
Calculated formula	C28.5 H23 Cl3 F10 Ir N8 P
Title of publication	Towards an efficient blue emission cationic Ir(iii) complex with azole-type ancillary ligands: a joint theoretical and experimental study
Authors of publication	Huang, Shao-Fen; Sun, Hai-Zhu; Shan, Guo-Gang; Wu, Yong; Zhang, Min; Su, Zhong-Min
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	5
Pages of publication	4635
a	11.253 ± 0.0008 Å
b	11.583 ± 0.0008 Å
c	15.263 ± 0.0011 Å
α	103.296 ± 0.0013°
β	99.143 ± 0.0015°
γ	109.752 ± 0.0014°
Cell volume	1760.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0616
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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