Crystallography Open Database

Information card for entry 4119726

4119725 << 4119726 >> 4119727

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Coordinates	4119726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H61.5 Ge4.5 Si3
Calculated formula	C27.56 H61.56 Ge4.5 Si3
Title of publication	Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid
Authors of publication	Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	6770 - 6773
a	16.5121 ± 0.0005 Å
b	28.0431 ± 0.0009 Å
c	16.4572 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7620.5 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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