Crystallography Open Database

Information card for entry 1569624

Preview

Coordinates	1569624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 Cl2 Cu N5
Calculated formula	C4 H11 Cl2 Cu N5
SMILES	[Cu]1([NH]=C(NC(=[NH]1)N)N(C)C)(Cl)Cl
Title of publication	Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes
Authors of publication	Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F.
Journal of publication	Crystals
Year of publication	2023
Journal volume	13
Journal issue	8
Pages of publication	1176
a	7.5287 ± 0.0003 Å
b	16.5771 ± 0.0004 Å
c	7.9737 ± 0.0003 Å
α	90°
β	113.925 ± 0.004°
γ	90°
Cell volume	909.64 ± 0.06 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
285541 (current)	2023-08-05	cif/ Adding structures of 1569624 via cif-deposit CGI script.	1569624.cif