Crystallography Open Database

Information card for entry 4114357

Preview

Coordinates	4114357.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-18C6)3[Ge9].3en
Formula	C42 H96 Ge9 K3 N6 O18
Calculated formula	C42 H96.03 Ge9 K3 N6 O18
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	18.1006 ± 0.0018 Å
b	15.4909 ± 0.0016 Å
c	24.589 ± 0.003 Å
α	90°
β	96.513 ± 0.002°
γ	90°
Cell volume	6850.1 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1832
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.2835
Weighted residual factors for all reflections included in the refinement	0.3255
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	4114357.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114357.cif
67662	2012-10-02	cif/ Adding structures of 4114357 via cif-deposit CGI script.	4114357.cif