Crystallography Open Database

Information card for entry 1559076

Preview

Coordinates	1559076.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetrakis[mu-propionato]bis(nicotinamide)dicopper(II), [Cu(CH3CH2COO)2(nia)2]2 (nia = nicotinamide)
Formula	C24 H32 Cu2 N4 O10
Calculated formula	C24 Cu2 N4 O10
SMILES	[Cu]1234([Cu]([O]=C(O1)CC)(OC(=[O]2)CC)([O]=C(O3)CC)(OC(=[O]4)CC)[n]1cccc(c1)C(=O)N)[n]1cccc(c1)C(=O)N
Title of publication	The Crystal and Molecular Structure of Tetrakis[mu-propionato]bis(nicotinamide)dicopper(II)
Authors of publication	Smolander, Kimmo; Macko, Milan; Valko, Marian; Melnik, Milan
Journal of publication	Acta Chemica Scandinavica
Year of publication	1992
Journal volume	46
Pages of publication	29 - 33
a	9.895 ± 0.007 Å
b	11.204 ± 0.007 Å
c	13.509 ± 0.007 Å
α	87.36 ± 0.05°
β	89.17 ± 0.05°
γ	74.25 ± 0.05°
Cell volume	1439.9 ± 1.6 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.059
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
256401 (current)	2020-09-14	cif/ Updating files of 1559076 Original log message: An error on C23 z coordinate corrected (due to the COD depositor)	1559076.cif
256400	2020-09-14	cif/ Adding structures of 1559076 via cif-deposit CGI script.	1559076.cif