Crystallography Open Database

Information card for entry 4308350

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Coordinates	4308350.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	mer-[Trichlorobis(indazole)(9-methyladenine)ruthenium(III)].CH2Cl2.CH3OH
Formula	C22 H25 Cl5 N9 O Ru
Calculated formula	C22 H25 Cl5 N9 O Ru
SMILES	[Ru](Cl)(Cl)(Cl)([n]1c2c(ncnc2N)n(c1)C)([n]1[nH]c2c(c1)cccc2)[n]1[nH]c2c(c1)cccc2.ClCCl.CO
Title of publication	Reactions of Potent Antitumor Complex trans-[RuIIICl4(indazole)2]- with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action
Authors of publication	Alexander Egger; Vladimir B. Arion; Erwin Reisner; Berta Cebrián-Losantos; Sergiu Shova; Günter Trettenhahn; Bernhard K. Keppler
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	122 - 132
a	9.486 ± 0.002 Å
b	11.427 ± 0.002 Å
c	13.972 ± 0.003 Å
α	102.31 ± 0.03°
β	98.72 ± 0.03°
γ	98.82 ± 0.03°
Cell volume	1435.3 ± 0.6 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	0.0471
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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