Crystallography Open Database

Information card for entry 1569646

Preview

Coordinates	1569646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 Cl Cu Ge N4 O4
Calculated formula	C26 H21 Cl Cu Ge N4 O4
SMILES	[Cu]1234(Cl)[Ge](Oc5[n]1cccc5)(Oc1[n]2cccc1)(Oc1[n]3cccc1)(Oc1[n]4cccc1)c1ccccc1
Title of publication	Ge-Cu-Complexes Ph(pyO)Ge(μ<sup>2</sup>-pyO)<sub>2</sub>CuCl and PhGe(μ<sup>2</sup>-pyO)<sub>4</sub>CuCl-Representatives of Cu(I)→Ge(IV) and Cu(II)→Ge(IV) Dative Bond Systems.
Authors of publication	Wagler, Jörg; Gericke, Robert
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	14
Pages of publication	5442
a	15.73 ± 0.0002 Å
b	18.2546 ± 0.0004 Å
c	17.1794 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4932.98 ± 0.15 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
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	0.0509
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
285567 (current)	2023-08-06	cif/ Adding structures of 1569646 via cif-deposit CGI script.	1569646.cif