Crystallography Open Database

Information card for entry 4114892

Preview

Coordinates	4114892.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	germabenzene
Formula	C32 H64 Ge Si6
Calculated formula	C32 H64 Ge Si6
SMILES	[Ge]1(=CC=CC=C1)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C
Title of publication	Synthesis and Properties of the First Stable Germabenzene
Authors of publication	Norio Nakata; Nobuhiro Takeda; Norihiro Tokitoh
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	6914 - 6920
a	18.4873 ± 0.001 Å
b	10.9402 ± 0.0007 Å
c	20.2958 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4104.9 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
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	0.0236
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178919 (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 4/11/48.	4114892.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114892.cif
68256	2012-10-19	cif/ Adding structures of 4114892 via cif-deposit CGI script.	4114892.cif