Crystallography Open Database

Information card for entry 7713309

Preview

Coordinates	7713309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H156 O4 Sn2
Calculated formula	C110 H156 O4 Sn2
SMILES	[Sn]1(Oc2c(cc(cc2C2CCCCC2)C2CCCCC2)C2CCCCC2)[O]([Sn](Oc2c(cc(cc2C2CCCCC2)C2CCCCC2)C2CCCCC2)[O]1c1c(cc(cc1C1CCCCC1)C1CCCCC1)C1CCCCC1)c1c(cc(cc1C1CCCCC1)C1CCCCC1)C1CCCCC1.c1(ccccc1)C.c1(ccccc1)C
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	12.1851 ± 0.0002 Å
b	26.1606 ± 0.0004 Å
c	15.8166 ± 0.0003 Å
α	90°
β	107.634 ± 0.0009°
γ	90°
Cell volume	4804.94 ± 0.14 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7713309.html