Crystallography Open Database

Information card for entry 4085080

Preview

Coordinates	4085080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 F24 Ge2 O4
Calculated formula	C40 H26 F24 Ge2 O4
SMILES	[Ge]12([Ge]34(OC(c5c3ccc(c5)C)(C(F)(F)F)C(F)(F)F)[OH]C(c3c4ccc(c3)C)(C(F)(F)F)C(F)(F)F)(OC(c3c1ccc(c3)C)(C(F)(F)F)C(F)(F)F)[OH]C(c1c2ccc(c1)C)(C(F)(F)F)C(F)(F)F
Title of publication	Interconversion among Dianionic, Anionic, and Neutral Compounds Bearing a Bond between Two Pentacoordinated Germanium Atoms
Authors of publication	Kano, Naokazu; Tsukada, Satoru; Shibata, Yusuke; Kawashima, Takayuki; Sato, Hiroyasu; Guo, Jing-Dong; Nagase, Shigeru
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	1
Pages of publication	56
a	11.4038 ± 0.0004 Å
b	11.2214 ± 0.0003 Å
c	17.0504 ± 0.0004 Å
α	90°
β	96.072 ± 0.007°
γ	90°
Cell volume	2169.64 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178739 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50.	4085080.cif
130789	2015-02-04	cif/ Updating files of 4085079, 4085080, 4085081 Original log message: Adding full bibliography for 4085079--4085081.cif.	4085080.cif
129240	2014-12-30	cif/ Adding structures of 4085079, 4085080, 4085081 via cif-deposit CGI script.	4085080.cif