Crystallography Open Database

Information card for entry 4084098

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Coordinates	4084098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Cl3 Fe Ru
Calculated formula	C29 H31 Cl3 Fe Ru
Title of publication	Synthesis, Crystal Structures, and Electrochemical Behavior of Fe‒Ru Heterobimetallic Complexes with Bridged Metallocene Units
Authors of publication	Schulz, Jiří; Uhlík, Filip; Speck, J. Matthäus; Císařová, Ivana; Lang, Heinrich; Štěpnička, Petr
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	18
Pages of publication	5020
a	7.3536 ± 0.0003 Å
b	9.157 ± 0.0004 Å
c	20.1027 ± 0.0008 Å
α	90°
β	94.364 ± 0.002°
γ	90°
Cell volume	1349.73 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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