Crystallography Open Database

Information card for entry 7236690

Preview

Coordinates	7236690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H29 F10 Ir N5 P
Calculated formula	C48 H29 F10 Ir N5 P
Title of publication	Two-photon photodynamic ablation of tumor cells by mitochondria-targeted iridium(iii) complexes in aggregate states
Authors of publication	Qiu, Kangqiang; Ouyang, Miao; Liu, Yukang; Huang, Huaiyi; Liu, Chaofeng; Chen, Yu; Ji, Liangnian; Chao, Hui
Journal of publication	Journal of Materials Chemistry B
Year of publication	2017
Journal volume	5
Journal issue	27
Pages of publication	5488
a	9.6327 ± 0.0004 Å
b	9.823 ± 0.0004 Å
c	23.0384 ± 0.0009 Å
α	83.222 ± 0.001°
β	79.915 ± 0.001°
γ	79.361 ± 0.001°
Cell volume	2101.08 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0382
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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