Crystallography Open Database

Information card for entry 4327996

Preview

Coordinates	4327996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H55 Ge K N4
Calculated formula	C38 H55 Ge K N4
SMILES	[Ge]1c2c(cccc2C=[N]1c1c(C(C)C)cccc1C(C)C)/C=N/c1c(C(C)C)cccc1C(C)C.[K+]1[N](C)(C)CC[N]1(C)C
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	12.0702 ± 0.0006 Å
b	19.1886 ± 0.001 Å
c	16.1095 ± 0.0007 Å
α	90°
β	95.285 ± 0.003°
γ	90°
Cell volume	3715.3 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
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	0.1812
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1866
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
179382 (current)	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.	4327996.cif
76940	2013-03-22	cif/ Adding structures of 4327996 via cif-deposit CGI script.	4327996.cif