Crystallography Open Database

Information card for entry 4114354

Preview

Coordinates	4114354.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-crypt)2K4[Ge9-Ge9].8en
Formula	C26 H61 Ge9 K3 N10 O6
Calculated formula	C26 H61 Ge9 K3 N10 O6
SMILES	[Ge]1234[Ge]56[Ge]781[Ge]19%10[Ge]%113([Ge]25[Ge]1%11[Ge]679)[Ge]48%10.[K+].[K]1234567[O]8CC[O]2CC[N]27CC[O]4CC[O]1CC[N]6(CC8)CC[O]3CC[O]5CC2.[K+].C(CN)N.C(CN)N.C(N)CN.NCCN
Title of publication	Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-
Authors of publication	Angel Ugrinov; Slavi C. Sevov
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14059 - 14064
a	9.3854 ± 0.0005 Å
b	13.5391 ± 0.0007 Å
c	19.456 ± 0.001 Å
α	84.522 ± 0.001°
β	81.39 ± 0.001°
γ	80.176 ± 0.001°
Cell volume	2402.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
178914 (current)	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 4/11/43.	4114354.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114354.cif
67659	2012-10-02	cif/ Adding structures of 4114354 via cif-deposit CGI script.	4114354.cif