Crystallography Open Database

Information card for entry 4326346

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Structure parameters

Formula	C27 H28 Ge N2
Calculated formula	C27 H28 Ge N2
SMILES	[Ge](Nc1c(CN(C)C)cccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline
Authors of publication	Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš R°užička
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9454 - 9464
a	10.4391 ± 0.0006 Å
b	10.979 ± 0.0004 Å
c	21.8049 ± 0.001 Å
α	96.161 ± 0.004°
β	94.939 ± 0.004°
γ	112.501 ± 0.004°
Cell volume	2273.4 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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.	4326346.cif
179366	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 4/32/63.	4326346.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326346.cif
48510	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326346 via cif-deposit CGI script.	4326346.cif