Crystallography Open Database

Information card for entry 4067482

Preview

Coordinates	4067482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Cl2 Ge N2
Calculated formula	C7 H12 Cl2 Ge N2
SMILES	[Ge](Cl)(=C1N(C(=C(N1C)C)C)C)Cl
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	30.2766 ± 0.001 Å
b	7.5605 ± 0.0002 Å
c	9.3169 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2132.7 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4067482.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067482.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067482.cif
34211	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067482, 4067483, 4067484, 4067485, 4067486, 4067487 via cif-deposit CGI script.	4067482.cif