Crystallography Open Database

Information card for entry 4339111

Preview

Coordinates	4339111.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-crown)2[CH2=CH-Ge9-CHCH2] en
Formula	C30 H62 Ge9 K2 N2 O12
Calculated formula	C30 H62 Ge9 K2 N2 O12
Title of publication	Organo-Zintl clusters soluble in conventional organic solvents: setting the stage for organo-Zintl cluster chemistry.
Authors of publication	Hull, Michael W.; Sevov, Slavi C.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	10953 - 10955
a	10.9474 ± 0.0004 Å
b	14.3863 ± 0.0005 Å
c	16.2272 ± 0.0006 Å
α	85.946 ± 0.002°
β	71.136 ± 0.002°
γ	89.264 ± 0.002°
Cell volume	2412.21 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339111.cif
117146	2014-06-14	cif/ Adding structures of 4339111, 4339112, 4339113 via cif-deposit CGI script.	4339111.cif