Crystallography Open Database

Information card for entry 4085307

Preview

Coordinates	4085307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H104 Br2 Ge2 Si8
Calculated formula	C54 H104 Br2 Ge2 Si8
Title of publication	Synthesis and Characterization of a 1,2-Digermabenzene
Authors of publication	Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Guo, Jing-Dong; Nagase, Shigeru; Streubel, Rainer; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2106
a	9.5903 ± 0.0002 Å
b	12.1744 ± 0.0003 Å
c	30.5707 ± 0.0009 Å
α	82.3768 ± 0.0019°
β	86.935 ± 0.002°
γ	75.4857 ± 0.0013°
Cell volume	3424.1 ± 0.15 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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