Crystallography Open Database

Information card for entry 4106543

Preview

Coordinates	4106543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H42 Ge
Calculated formula	C35 H42 Ge
SMILES	[Ge](c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1C=CC=C1
Title of publication	C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions
Authors of publication	Owen T. Summerscales; James C. Fettinger; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	11960 - 11963
a	18.0854 ± 0.0015 Å
b	10.1004 ± 0.0008 Å
c	33.039 ± 0.003 Å
α	90°
β	92.544 ± 0.002°
γ	90°
Cell volume	6029.3 ± 0.9 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	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106543.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106543.cif
53345	2012-04-19	cif/ Adding structures of 4106543 via cif-deposit CGI script.	4106543.cif