Crystallography Open Database

Information card for entry 4075861

Preview

Coordinates	4075861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 Cl2 Ge2 N4 O4 W
Calculated formula	C38 H34 Cl2 Ge2 N4 O4 W
SMILES	c1(ccccc1)[N]1=C(C)C=C(N(c2ccccc2)[Ge]1([W](C#[O])(C#[O])(C#[O])(C#[O])[Ge]1([N](c2ccccc2)=C(C)C=C(N1c1ccccc1)C)Cl)Cl)C
Title of publication	In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2
Authors of publication	Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	2988
a	10.4796 ± 0.0014 Å
b	9.5423 ± 0.0012 Å
c	19.334 ± 0.003 Å
α	90°
β	103.309 ± 0.002°
γ	90°
Cell volume	1881.5 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0432
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
178647 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075861.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075861.cif
50710	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075861 via cif-deposit CGI script.	4075861.cif