Crystallography Open Database

Information card for entry 7713584

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Coordinates	7713584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 Cl F3 O3 P2 Ru S
Calculated formula	C44 H38 Cl F3 O3 P2 Ru S
Title of publication	Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers
Authors of publication	Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.
Journal of publication	Dalton Transactions
Year of publication	2023
a	12.47399 ± 0.00008 Å
b	10.42115 ± 0.00006 Å
c	30.03284 ± 0.00018 Å
α	90°
β	99.8863 ± 0.0006°
γ	90°
Cell volume	3846.09 ± 0.04 Å³
Cell temperature	139.99 ± 0.1 K
Ambient diffraction temperature	139.99 ± 0.1 K
Number of distinct elements	8
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	0.0245
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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