Crystallography Open Database

Information card for entry 4037584

Preview

Coordinates	4037584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 F2 Ge
Calculated formula	C42 H30 F2 Ge
SMILES	C12(c3c(C(c4c1cccc4)c1c2cccc1)c(ccc3)C)[Ge](C12c3c(C(c4c1cccc4)c1c2cccc1)c(ccc3)C)(F)F
Title of publication	Gear Slippage in Molecular Bevel Gears Bridged with a Group 14 Element.
Authors of publication	Okamura, Kazuma; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Setaka, Wataru
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	22
Pages of publication	14636 - 14643
a	18.901 ± 0.003 Å
b	18.901 ± 0.003 Å
c	17.635 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6300.1 ± 1.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1335
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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