Crystallography Open Database

Information card for entry 7111562

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Structure parameters

Formula	C38 H54 Ge2 N4 S3 Si4
Calculated formula	C38 H54 Ge2 N4 S3 Si4
SMILES	S([Ge]1(=S)[n]2ccccc2C([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1)[Ge]1(=S)[n]2ccccc2C([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1
Title of publication	Synthesis of a germanium analogue of a dithiocarboxylic acid anhydride from the Ge(i) pyridyl-1-azaallyl dimer
Authors of publication	Leung, Wing-Por; Chiu, Wang-Kin; Chong, Kim-Hung; Mak, Thomas C. W.
Journal of publication	Chemical Communications
Year of publication	2009
Journal issue	44
Pages of publication	6822 - 6824
a	24.36 ± 0.006 Å
b	11.062 ± 0.003 Å
c	17.424 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4695 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.2263
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1943
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7111562.cif
180229	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111562.cif
96662	2014-01-29	cif/ Adding structures of 7111561, 7111562 via cif-deposit CGI script.	7111562.cif