Crystallography Open Database

Information card for entry 4073535

Preview

Coordinates	4073535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H60 Cl4 O Sb2
Calculated formula	C52 H60 Cl4 O Sb2
SMILES	CCOCC.c1(c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C)[Sb](Cl)Cl
Title of publication	The First Mixed-Valent Antimony(III/V) Oxo Clusters (2,6-Mes2C6H3Sb)2(ClSb)4O8and (2,6-Mes2C6H3Sb)4(ClSb)4(HOSb)2O14†
Authors of publication	Beckmann, Jens; Heek, Timm; Takahashi, Masashi
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	15
Pages of publication	3633
a	10.657 ± 0.002 Å
b	17.087 ± 0.003 Å
c	13.974 ± 0.003 Å
α	90°
β	93.371 ± 0.005°
γ	90°
Cell volume	2540.2 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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