Crystallography Open Database

Information card for entry 7119515

7119514 << 7119515 >> 7119516

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Coordinates	7119515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H37 Cl F4 Ir N7
Calculated formula	C59 H37 Cl F4 Ir N7
Title of publication	Selectively lighting up two-photon photodynamic activity in mitochondria with AIE-active iridium(iii) complexes.
Authors of publication	Liu, Jiangping; Jin, Chengzhi; Yuan, Bo; Liu, Xingguo; Chen, Yu; Ji, Liangnian; Chao, Hui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	12
Pages of publication	2052 - 2055
a	20.8286 ± 0.0009 Å
b	18.639 ± 0.0006 Å
c	17.8263 ± 0.0006 Å
α	90°
β	91.188 ± 0.004°
γ	90°
Cell volume	6919.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.2021
Weighted residual factors for all reflections included in the refinement	0.2291
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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