Crystallography Open Database

Information card for entry 1558394

Preview

Coordinates	1558394.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(C4H10NO3)(C4H11NO3)(H2O)]2X, where X = SO4(2-)
Formula	C16 H46 Cu2 N4 O18 S
Calculated formula	C16 Cu2 N4 O18 S
Title of publication	Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 3. Synthesis, Structure and Thermal Behavior of Bis-cis[2-amino-2-hydroxymethyl-1,3-propanediol-O,N] [2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]aquacopper(II) Sulfate and Chromate, [Cu(C4H10NO3)(C4H11NO3)(H2O)]2X, where X = SO4(2-), CrO4(2-)
Authors of publication	Kotila, Sirpa; Valkonen, Jussi
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	200 - 208
a	6.213 ± 0.002 Å
b	11.009 ± 0.004 Å
c	11.248 ± 0.001 Å
α	70.88 ± 0.01°
β	72.87 ± 0.02°
γ	79.67 ± 0.02°
Cell volume	691.7 ± 0.4 Å³
Ambient diffraction temperature	294 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.04
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
253354 (current)	2020-06-23	cif/ Adding structures of 1558394 via cif-deposit CGI script.	1558394.cif