Crystallography Open Database

Information card for entry 4118572

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Coordinates	4118572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H98.12 Ge2
Calculated formula	C71 H98.12 Ge2
Title of publication	The Role of Group 14 Element Hydrides in the Activation of C-H Bonds in Cyclic Olefins
Authors of publication	Owen T. Summerscales; Christine A. Caputo; Caroline E. Knapp; James C. Fettinger; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	14595 - 14603
a	21.5869 ± 0.0006 Å
b	14.9231 ± 0.0004 Å
c	39.6876 ± 0.0012 Å
α	90°
β	90.478 ± 0.002°
γ	90°
Cell volume	12784.7 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
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	0.0521
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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