Crystallography Open Database

Information card for entry 4300192

Preview

Coordinates	4300192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H66 Cl4 Cu2 N12 O19
Calculated formula	C34 H66 Cl4 Cu2 N12 O20
Title of publication	Coordination Chemistry of a Novel Tetramacrocyclic Ligand Derived from 1,4,7-Triazacyclononane: Synthesis, Structure, and Properties of Nickel(II) and Copper(II) Complexes
Authors of publication	Bim Graham; Martin J. Grannas; Milton T. W. Hearn; Christopher M. Kepert; Leone Spiccia; Brian W. Skelton; Allan H. White
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1092 - 1099
a	9.5705 ± 0.0001 Å
b	13.0646 ± 0.0001 Å
c	20.1298 ± 0.0002 Å
α	90°
β	103.162 ± 0.0008°
γ	90°
Cell volume	2450.81 ± 0.04 Å³
Cell temperature	273.2 K
Ambient diffraction temperature	273.2 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	0.0424
Weighted residual factors for significantly intense reflections	0.0545
Goodness-of-fit parameter for significantly intense reflections	4.029
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4300192.html