Crystallography Open Database

Information card for entry 7221722

Preview

Coordinates	7221722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Cl N9 Ni2 O16
Calculated formula	C60 H66 Cl N9 Ni2 O16
Title of publication	Cobalt(ii/iii), nickel(ii) and copper(ii) coordination clusters employing a monoanionic Schiff base ligand: synthetic, topological and computational mechanistic aspects
Authors of publication	Loukopoulos, Edward; Berkoff, Benjamin; Griffiths, Kieran; Keeble, Victoria; Dokorou, Vassiliki N.; Tsipis, Athanassios C.; Escuer, Albert; Kostakis, George E.
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	35
Pages of publication	6753
a	27.0155 ± 0.0019 Å
b	13.565 ± 0.0009 Å
c	36.028 ± 0.003 Å
α	90°
β	97.0327 ± 0.0008°
γ	90°
Cell volume	13103.7 ± 1.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0912
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.204
Weighted residual factors for all reflections included in the refinement	0.2176
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171035 (current)	2015-12-09	cif/ Updating files of 7221715, 7221716, 7221717, 7221718, 7221719, 7221720, 7221721, 7221722, 7221723, 7221724 Original log message: Adding full bibliography for 7221715--7221724.cif.	7221722.cif
152715	2015-08-04	cif/ Adding structures of 7221715, 7221716, 7221717, 7221718, 7221719, 7221720, 7221721, 7221722, 7221723, 7221724 via cif-deposit CGI script.	7221722.cif