Crystallography Open Database

Information card for entry 4067487

Preview

Coordinates	4067487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 Ge N2
Calculated formula	C25 H34 Ge N2
SMILES	[Ge](=C1N(C(=C(N1C)C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	On the Bonding in N-Heterocyclic Carbene Complexes of Germanium(II)
Authors of publication	Ruddy, Adam J.; Rupar, Paul A.; Bladek, Kamila J.; Allan, Christopher J.; Avery, Jessica C.; Baines, Kim M.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	6
Pages of publication	1362
a	14.35 ± 0.003 Å
b	16.739 ± 0.003 Å
c	19.434 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4668.1 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
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
178565 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/74.	4067487.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067487.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067487.cif
34211	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067482, 4067483, 4067484, 4067485, 4067486, 4067487 via cif-deposit CGI script.	4067487.cif