Crystallography Open Database

Information card for entry 4081731

Preview

Coordinates	4081731.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1
Formula	C32 H40 Ge2 N2 O5 W
Calculated formula	C32 H40 Ge2 N2 O5 W
SMILES	[W]([GeH2][GeH2]=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Stable Complexes of Parent Digermene: An Inorganic Analogue of Ethylene
Authors of publication	Al-Rafia, S. M. Ibrahim; Momeni, Mohammad R.; Ferguson, Michael J.; McDonald, Robert; Brown, Alex; Rivard, Eric
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	22
Pages of publication	6658
a	20.774 ± 0.0005 Å
b	15.1577 ± 0.0003 Å
c	22.9277 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7219.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0426
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
178706 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/17.	4081731.cif
91746	2013-12-13	cif/ Adding structures of 4081731, 4081732, 4081733, 4081734 via cif-deposit CGI script.	4081731.cif