Crystallography Open Database

Information card for entry 7235669

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Coordinates	7235669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cl2 N6 O Ru S
Calculated formula	C18 H26 Cl2 N6 O Ru S
Title of publication	Mitigating UVA light induced reactivity of 6-thioguanine through formation of a Ru(ii) half-sandwich complex
Authors of publication	Mitra, Raja; Samuelson, Ashoka G.
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	46
Pages of publication	24304
a	12.222 ± 0.005 Å
b	13.369 ± 0.005 Å
c	17.069 ± 0.005 Å
α	68.138 ± 0.005°
β	73.503 ± 0.005°
γ	68.533 ± 0.005°
Cell volume	2373.4 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0887
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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