Crystallography Open Database

Information card for entry 7047740

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Coordinates	7047740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H43 Cl F6 Ir O P3
Calculated formula	C41 H43 Cl F6 Ir O P3
Title of publication	Highly potent half-sandwich iridium and ruthenium complexes as lysosome-targeted imaging and anticancer agents.
Authors of publication	Li, JuanJuan; Tian, Zhenzhen; Xu, Zhishan; Zhang, Shumiao; Feng, Yaqian; Zhang, Lingdong; Liu, Zhe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	44
Pages of publication	15772 - 15782
a	19.6096 ± 0.0011 Å
b	17.4627 ± 0.001 Å
c	23.4976 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	8046.4 ± 0.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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