Crystallography Open Database

Information card for entry 7009425

Preview

Coordinates	7009425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H90.5 Cl3 Cu2 Fe4 I N8 O1.25
Calculated formula	C72 H88 Cl3 Cu2 Fe4 I N8 O1.25
Title of publication	A new redox-responsive 14-membered tetraazamacrocycle with ferrocenylmethyl arms as receptor for sensing transition-metal ions
Authors of publication	Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Félix, Vitor; Saint-Maurice, André
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	12
Pages of publication	1907
a	12.292 ± 0.014 Å
b	17.784 ± 0.019 Å
c	19.35 ± 0.02 Å
α	92.31 ± 0.01°
β	96.64 ± 0.01°
γ	108.04 ± 0.01°
Cell volume	3982 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1595
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.2597
Weighted residual factors for all reflections included in the refinement	0.3011
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7009425.html