Crystallography Open Database

Information card for entry 7009426

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Coordinates	7009426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 Cl Fe2 I N4 O2 Zn
Calculated formula	C36 H44 Cl Fe2 I N4 O2 Zn
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	41.98 ± 0.05 Å
b	10.348 ± 0.013 Å
c	18.95 ± 0.02 Å
α	90°
β	107.62 ± 0.01°
γ	90°
Cell volume	7846 ± 16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2573
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.2287
Weighted residual factors for all reflections included in the refinement	0.2911
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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