Crystallography Open Database

Information card for entry 1558363

Preview

Coordinates	1558363.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu5(L-H)4]Br2.2H2O (HL=2)
Formula	C16 H40 Br2 Cu5 N12 O6
Calculated formula	C16 Br2 Cu5 N12 O6
SMILES	C12CC=[N](C)[Cu]34[N]=1[O]1[Cu]56[O]7[N]8[Cu]1([NH2]2)[N](=CCC=8[NH2][Cu]17[N]2=C(CC=[N]1C)[NH2][Cu]1([N](=CCC(=[N]1[O]36)[NH2]4)C)[O]52)C.O.[Br-].O.[Br-]
Title of publication	Equilibrium and Structural Studies on Metal Complexes of Oxime Ligands. Polynuclear Complex Formation of Copper(II) with 3-Aminopropanamidoxime and its N-Alkyl Derivatives
Authors of publication	Orama, Marjatta; Saarinen, Heikki; Korvenranta, Jorma
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	127 - 133
a	10.88 ± 0.005 Å
b	5.93 ± 0.003 Å
c	23.836 ± 0.011 Å
α	90°
β	100.06 ± 0.04°
γ	90°
Cell volume	1514.2 ± 1.3 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.24
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253273 (current)	2020-06-19	cif/ Adding structures of 1558363 via cif-deposit CGI script.	1558363.cif