Crystallography Open Database

Information card for entry 4114972

Preview

Coordinates	4114972.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5-Iodo-2,4,6,8,9,10-hexakis(tri-tert-butylsilyl)heptacyclo-[4.4.0.0^1,3^.0^2,5^.0^3,9^.0^4,7^.0^8,10^]decagerman-7-yliumtetrakis(2,3,5,6-tetrafluorophenyl)borate
Formula	C103 H174 B F16 Ge10 I Si6
Calculated formula	C103 H174 B F16 Ge10 I Si6
SMILES	I[Ge]12[Ge]3([Ge]456[Ge]1([Ge]174[Ge]2([Ge]351[Ge]1([Ge]6([Ge]71[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)cc1F)[B-](c1c(F)c(F)cc(F)c1F)(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F.Cc1ccccc1
Title of publication	The Cation Cluster of Heavier Group 14 Elements: A Free Germyl Cation with Trishomoaromaticity
Authors of publication	Akira Sekiguchi; Yutaka Ishida; Yoshio Kabe; Masaaki Ichinohe
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	8776 - 8777
a	15.661 ± 0.0012 Å
b	17.337 ± 0.0012 Å
c	23.302 ± 0.002 Å
α	87.001 ± 0.005°
β	87.703 ± 0.004°
γ	83.786 ± 0.004°
Cell volume	6277.3 ± 0.8 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1721
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.1898
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211398 (current)	2018-10-12	cif/4/11/49/ Correcting the _chemical_name_systematic data item value in entry 4114972 by replacing the '<', '>' symbols with the '^' symbol. This is the preferred way of denoting superscript symbols in CIF files.	4114972.cif
178920	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 4/11/49.	4114972.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114972.cif
68356	2012-10-25	cif/ Adding structures of 4114972 via cif-deposit CGI script.	4114972.cif