Crystallography Open Database

Information card for entry 7038427

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Coordinates	7038427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.5 H31.5 B2 F42 Fe P2
Calculated formula	C85.5 H31.5 B2 F42 Fe P2
Title of publication	Ferrocenyl-derived electrophilic phosphonium cations (EPCs) as Lewis acid catalysts.
Authors of publication	Mallov, Ian; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	13
Pages of publication	5568 - 5574
a	14.2251 ± 0.0008 Å
b	16.3787 ± 0.001 Å
c	17.2783 ± 0.0011 Å
α	74.451 ± 0.002°
β	87.233 ± 0.002°
γ	89.862 ± 0.002°
Cell volume	3873.6 ± 0.4 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149.03 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.0311
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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