Crystallography Open Database

Information card for entry 4327993

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Structure parameters

Formula	C21 H24 Cl Ge N O2
Calculated formula	C21 H24 Cl Ge N O2
SMILES	[Ge]1(c2c3c(ccc2C(C)=[N]1c1c(C(C)C)cccc1C(C)C)OCO3)Cl
Title of publication	Reactivity of Digermylenes toward Potassium Graphite: Synthesis and Characterization of Germylidenide Anions
Authors of publication	Siew-Peng Chia; Hui-Xian Yeong; Cheuk-Wai So
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1002 - 1010
a	14.9469 ± 0.0003 Å
b	15.6737 ± 0.0003 Å
c	18.6069 ± 0.0004 Å
α	90°
β	112.249 ± 0.001°
γ	90°
Cell volume	4034.55 ± 0.14 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4327993.cif
179382	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/79.	4327993.cif
76937	2013-03-22	cif/ Adding structures of 4327993 via cif-deposit CGI script.	4327993.cif