Crystallography Open Database

Information card for entry 4106542

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Structure parameters

Formula	C42 H54 Ge
Calculated formula	C42 H54 Ge
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	15.8497 ± 0.0012 Å
b	25.8968 ± 0.0011 Å
c	17.0594 ± 0.0007 Å
α	90°
β	95.87°
γ	90°
Cell volume	6965.4 ± 0.7 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	0.049
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4106542.cif
178811	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.	4106542.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106542.cif
53344	2012-04-19	cif/ Adding structures of 4106542 via cif-deposit CGI script.	4106542.cif