Crystallography Open Database

Information card for entry 4309195

Preview

Coordinates	4309195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 Cl4 N6 Ru S3
Calculated formula	C9 H8 Cl3 N6 Ru0.5 S3
Title of publication	Structure-Function Relationships within Keppler-Type Antitumor Ruthenium(III) Complexes: the Case of 2-Aminothiazolium[trans-tetrachlorobis(2-aminothiazole)ruthenate(III)]
Authors of publication	Pasquale Mura; Francesca Piccioli; Chiara Gabbiani; Mercedes Camalli; Luigi Messori
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4897 - 4899
a	12.928 ± 0.001 Å
b	8.35 ± 0.001 Å
c	18.453 ± 0.002 Å
α	90°
β	115.4 ± 0.01°
γ	90°
Cell volume	1799.4 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.048
Weighted residual factors for all reflections	0.069
Weighted residual factors for significantly intense reflections	0.069
Goodness-of-fit parameter for all reflections	0.906
Goodness-of-fit parameter for significantly intense reflections	0.906
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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