Crystallography Open Database

Information card for entry 7713310

Preview

Coordinates	7713310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H140 Ge2 O4
Calculated formula	C96 H140 Ge2 O4
SMILES	[Ge]1(Oc2c(cc(cc2C2CCCCC2)C2CCCCC2)C2CCCCC2)[O]([Ge](Oc2c(cc(cc2C2CCCCC2)C2CCCCC2)C2CCCCC2)[O]1c1c(cc(cc1C1CCCCC1)C1CCCCC1)C1CCCCC1)c1c(cc(cc1C1CCCCC1)C1CCCCC1)C1CCCCC1
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	19.3073 ± 0.0012 Å
b	16.9581 ± 0.0011 Å
c	31.157 ± 0.002 Å
α	90°
β	100.286 ± 0.0016°
γ	90°
Cell volume	10037.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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