Crystallography Open Database

Information card for entry 4081732

Preview

Coordinates	4081732.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C33 H38 Cl4 Ge2 N2 O5 W
Calculated formula	C33 H38 Cl4 Ge2 N2 O5 W
SMILES	[W]([Ge]([Ge](Cl)(Cl)Cc1n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)Cl)(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	16.2246 ± 0.0015 Å
b	20.6128 ± 0.0019 Å
c	24.111 ± 0.002 Å
α	90°
β	98.941 ± 0.001°
γ	90°
Cell volume	7965.6 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
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.	4081732.cif
91746	2013-12-13	cif/ Adding structures of 4081731, 4081732, 4081733, 4081734 via cif-deposit CGI script.	4081732.cif