Crystallography Open Database

Information card for entry 4067485

Preview

Coordinates	4067485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Ge I2 N2
Calculated formula	C7 H12 Ge I2 N2
SMILES	I[Ge](I)=C1N(C(=C(N1C)C)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	18.963 ± 0.004 Å
b	8.4176 ± 0.0017 Å
c	15.353 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2450.7 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4067485.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067485.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067485.cif
34211	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067482, 4067483, 4067484, 4067485, 4067486, 4067487 via cif-deposit CGI script.	4067485.cif