Crystallography Open Database

Information card for entry 4074318

Preview

Coordinates	4074318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 Fe N O S
Calculated formula	C18 H19 Fe N O S
Title of publication	Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes
Authors of publication	Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	20
Pages of publication	4808
a	9.5043 ± 0.0019 Å
b	10.032 ± 0.002 Å
c	10.085 ± 0.002 Å
α	113.79 ± 0.03°
β	102.08 ± 0.03°
γ	95.94 ± 0.03°
Cell volume	841.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0468
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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