Crystallography Open Database

Information card for entry 4075173

Preview

Coordinates	4075173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 Ge N2 O Se
Calculated formula	C36 H50 Ge N2 O Se
SMILES	[Ge]1(=[Se])(O)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1
Title of publication	Preparation of LGe(Se)OH: A Germanium Analogue of a Selenocarboxylic Acid (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)
Authors of publication	Pineda, Leslie W.; Jancik, Vojtech; Oswald, Rainer B.; Roesky, Herbert W.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2384
a	25.974 ± 0.004 Å
b	16.195 ± 0.003 Å
c	18.151 ± 0.003 Å
α	90°
β	115.82 ± 0.03°
γ	90°
Cell volume	6873 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4075173.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075173.cif
49098	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075173 via cif-deposit CGI script.	4075173.cif