Crystallography Open Database

Information card for entry 7713311

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Coordinates	7713311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H140 O4 Pb2
Calculated formula	C96 H140 O4 Pb2
Title of publication	Rearrangement of a Ge(II) aryloxide to yield a new Ge(II) oxo-cluster [Ge<sub>6</sub>(μ<sub>3</sub>-O)<sub>4</sub>(μ<sub>2</sub>-OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>4</sub>](NH<sub>3</sub>)<sub>0.5</sub>: main group aryloxides of Ge(II), Sn(II), and Pb(II) [M(OC<sub>6</sub>H<sub>2</sub>-2,4,6-Cy<sub>3</sub>)<sub>2</sub>]<sub>2</sub> (Cy = cyclohexyl).
Authors of publication	McLoughlin, Connor P.; Kaseman, Derrick C.; Fettinger, James C.; Power, Philip P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	18.4668 ± 0.0008 Å
b	16.8063 ± 0.0006 Å
c	19.1231 ± 0.0008 Å
α	90°
β	117.133 ± 0.002°
γ	90°
Cell volume	5281.9 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1254
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	Yes
Has F_obs	No

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