Crystallography Open Database

Information card for entry 7022978

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Coordinates	7022978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Cl5 Fe N Pd S2
Calculated formula	C15 H16 Cl5 Fe N Pd S2
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	9.5896 ± 0.0007 Å
b	13.685 ± 0.001 Å
c	16.626 ± 0.0012 Å
α	90°
β	104.265 ± 0.001°
γ	90°
Cell volume	2114.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.031
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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