Crystallography Open Database

Information card for entry 4104616

Preview

Coordinates	4104616.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(K-crypt)2[Ge9-(CH2CH(CH2)2)2] 3en
Formula	C50 H86 Ge9 K2 N10 O12
Calculated formula	C50 H86 Ge9 K2 N10 O12
Title of publication	Functionalization of Nine-Atom Deltahedral Zintl Ions with Organic Substituents: Detailed Studies of the Reactions
Authors of publication	Michael W. Hull; Slavi C. Sevov
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	9026 - 9037
a	14.9391 ± 0.0003 Å
b	25.7127 ± 0.0005 Å
c	19.0906 ± 0.0004 Å
α	90°
β	93.89 ± 0.001°
γ	90°
Cell volume	7316.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178792 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/46.	4104616.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104616.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104616.cif
29642	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104616 via cif-deposit CGI script.	4104616.cif