Crystallography Open Database

Information card for entry 7022975

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Coordinates	7022975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Fe N O S
Calculated formula	C13 H15 Fe N O S
Title of publication	2-Ferrocenyl-2-thiazoline as a building block of novel phosphine-free ligands.
Authors of publication	Corona-Sánchez, Ricardo; Toscano, Rubén A; Ortega-Alfaro, M Carmen; Sandoval-Chávez, César; López-Cortés, José G
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	33
Pages of publication	11992 - 12004
a	17.8607 ± 0.0017 Å
b	7.3757 ± 0.0007 Å
c	18.9368 ± 0.0018 Å
α	90°
β	92.073 ± 0.002°
γ	90°
Cell volume	2493 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0345
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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