Crystallography Open Database

Information card for entry 4335184

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Structure parameters

Formula	C39 H44 Cl2 F6 Fe N12 O6 P2 S2
Calculated formula	C39 H44 Cl2 F6 Fe N12 O6 P2 S2
Title of publication	Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior
Authors of publication	Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7000 - 7009
a	13.1348 ± 0.0003 Å
b	13.5183 ± 0.0003 Å
c	14.2438 ± 0.0003 Å
α	92.854 ± 0.0017°
β	97.9214 ± 0.0018°
γ	104.557 ± 0.0018°
Cell volume	2415.17 ± 0.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1763
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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