Crystallography Open Database

Information card for entry 4075346

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Coordinates	4075346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 Cu F6 Fe N2 P Si4 Ti
Calculated formula	C48 H60 Cu F6 Fe N2 P Si4 Ti
Title of publication	Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units
Authors of publication	Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4579
a	18.6503 ± 0.001 Å
b	16.8592 ± 0.0009 Å
c	19.1245 ± 0.001 Å
α	90°
β	116.716 ± 0.001°
γ	90°
Cell volume	5371.4 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1308
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1715
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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