Crystallography Open Database

Information card for entry 7716037

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Coordinates	7716037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl2 N4 O Ru S
Calculated formula	C22 H30 Cl2 N4 O Ru S
Title of publication	Vitamin B1-based thiazol-2-ylidene-Ru(II) complexes: recyclable transfer hydrogenation catalysts in water.
Authors of publication	Kılınçarslan, Rafet; Tuncer, Hayriye; Özdemir, Namık; Çetinkaya, Bekir
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	21
Pages of publication	9192 - 9197
a	17.852 ± 0.005 Å
b	18.543 ± 0.004 Å
c	16.781 ± 0.005 Å
α	90°
β	116.8 ± 0.02°
γ	90°
Cell volume	4958 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	0.845
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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