Crystallography Open Database

Information card for entry 4111895

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Structure parameters

Common name	digermane
Formula	C60 H78 Ge2
Calculated formula	C60 H78 Ge2
Title of publication	Facile Activation of Dihydrogen by an Unsaturated Heavier Main Group Compound
Authors of publication	Geoffrey H. Spikes; James C. Fettinger; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	12232 - 12233
a	16.3425 ± 0.0011 Å
b	45.579 ± 0.003 Å
c	21.2946 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	15861.8 ± 1.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4111895.cif
178889	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/18.	4111895.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111895.cif
63508	2012-08-02	cif/ Adding structures of 4111895 via cif-deposit CGI script.	4111895.cif