Crystallography Open Database

Information card for entry 4103831

Preview

Coordinates	4103831.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AJ-12
Formula	C36 H50 Ge N2 S2
Calculated formula	C36 H50 Ge N2 S2
SMILES	c1(c(cccc1C(C)C)C(C)C)[N]1=C(C)C=C(C)N(c2c(cccc2C(C)C)C(C)C)[Ge]1(S)=S.c1(ccccc1)C
Title of publication	A Germanium(II) Hydride as an Effective Reagent for Hydrogermylation Reactions
Authors of publication	Anukul Jana; Debajyoti Ghoshal; Herbert W. Roesky; Ina Objartel; Gerald Schwab; Dietmar Stalke
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	1288 - 1293
a	12.7426 ± 0.001 Å
b	15.655 ± 0.0012 Å
c	18.0931 ± 0.0014 Å
α	90°
β	106.335 ± 0.001°
γ	90°
Cell volume	3463.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0274
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178784 (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 4/10/38.	4103831.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103831.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103831.cif
28306	2011-10-24	../uploads/cif-deposit/cod/cif Adding structures of 4103831 via cif-deposit CGI script.	4103831.cif