Crystallography Open Database

Information card for entry 7702139

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Coordinates	7702139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cl2 F3 Ir N6 O3 S
Calculated formula	C29 H24 F3 Ir N6 O3 S
Title of publication	Iridium(iii) complexes with five-membered heterocyclic ligands for combined photodynamic therapy and photoactivated chemotherapy.
Authors of publication	Wu, Na; Cao, Jian-Jun; Wu, Xiao-Wen; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	39
Pages of publication	13482 - 13491
a	24.0303 ± 0.0003 Å
b	15.93 ± 0.0002 Å
c	17.5507 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6718.45 ± 0.17 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2275
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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