Crystallography Open Database

Information card for entry 4075504

Preview

Coordinates	4075504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2
Calculated formula	C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2
Title of publication	Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)
Authors of publication	Gädt, Torben; Eichele, Klaus; Wesemann, Lars
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	3904
a	23.164 ± 0.0008 Å
b	20.279 ± 0.0009 Å
c	27.1721 ± 0.001 Å
α	90°
β	112.21 ± 0.003°
γ	90°
Cell volume	11816.9 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1622
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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