Crystallography Open Database

Information card for entry 7716038

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Coordinates	7716038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Cl F6 N7 O P Ru S
Calculated formula	C27 H31 Cl F6 N7 O P 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
Year of publication	2024
a	11.4006 ± 0.0015 Å
b	18.081 ± 0.002 Å
c	15.713 ± 0.002 Å
α	90°
β	98.41 ± 0.004°
γ	90°
Cell volume	3204.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
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	0.0657
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.177
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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