Crystallography Open Database

Information card for entry 1576066

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Coordinates	1576066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H100 Ge3 Si8
Calculated formula	C49 H100 Ge3 Si8
Title of publication	A neutral homoaromatic heavy allene as a platform for selective conversion to a germylene-coordinated digermavinylidene
Authors of publication	Uchida, Daichi; Yamada, Hiroko; Mizuhata, Yoshiyuki
Journal of publication	Chemical Science
Year of publication	2025
a	30.202 ± 0.003 Å
b	9.5466 ± 0.0008 Å
c	23.1505 ± 0.0017 Å
α	90°
β	103.92 ± 0.002°
γ	90°
Cell volume	6478.9 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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