Crystallography Open Database

Information card for entry 4114352

Preview

Coordinates	4114352.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-crypt)2[[Ph-(Ge9)-SbPh2].tol
Formula	C61 H95 Ge9 K2 N4 O12 Sb
Calculated formula	C61 H95 Ge9 K2 N4 O12 Sb
SMILES	[Sb](c1ccccc1)(c1ccccc1)[Ge]123[Ge]456[Ge]78[Ge]9%104[Ge]4%118[Ge]157[Ge]24[Ge]%10%11([Ge]369)c1ccccc1.[K]1234567[O]8CC[N]96CC[O]1CC[O]3CC[N]7(CC[O]2CC8)CC[O]4CC[O]5CC9.[K]1234567[O]8CC[O]1CC[N]16CC[O]3CC[O]4CC[N]7(CC8)CC[O]5CC[O]2CC1.Cc1ccccc1
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	23.584 ± 0.004 Å
b	24.664 ± 0.004 Å
c	12.91 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7509 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1859
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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.	4114352.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114352.cif
67657	2012-10-02	cif/ Adding structures of 4114352 via cif-deposit CGI script.	4114352.cif