Crystallography Open Database

Information card for entry 1559003

Preview

Coordinates	1559003.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(C4H10NO3)(C4H11NO3)(NO3)]
Formula	C8 H21 Cu N3 O9
Calculated formula	C8 Cu N3 O9
SMILES	[Cu]123(ON(=O)=O)(OCC([NH2]2)(C[OH]1)CO)[OH]CC([NH2]3)(CO)CO
Title of publication	Cooper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 2. Synthesis, Structure and Thermal Behavior of cis-[2-amino-2-hydroxymethyl-1,3-propanediol(1,3)-O,O',N][2-amino-2- hydroxymethyl-1,3-propanediolato(1-)-O,N]nitratocopper(II), [Cu(C4H10NO3)(C4H11NO3)(NO3)], and cis-[2-Amino-2-hydroxymethyl-1,3- propanediol(1,3-)-O,O',N][2-amino-2-hydroxymethyl-1,3-propanediolato(1,3-) -O,O',N]copper(II) Sodium Bis(perchlorate), [Cu(C4H10NO3)(C4H11NO3)]Na(ClO4)2
Authors of publication	Kotila, Sirpa; Valkonen, Jussi
Journal of publication	Acta Chemica Scandinavica
Year of publication	1993
Journal volume	47
Pages of publication	957 - 964
a	10.246 ± 0.002 Å
b	6.95 ± 0.001 Å
c	21.313 ± 0.003 Å
α	90°
β	110.54 ± 0.01°
γ	90°
Cell volume	1421.2 ± 0.4 Å³
Ambient diffraction temperature	294 K
Number of distinct elements	5
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	0.032
Weighted residual factors for significantly intense reflections	0.035
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation probe	x-ray
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
256220 (current)	2020-09-08	cif/ Adding structures of 1559003 via cif-deposit CGI script.	1559003.cif