Crystallography Open Database

Information card for entry 1559339

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Coordinates	1559339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H150 Cl3 Fe2 N24 O29 S2
Calculated formula	C148 H150 Cl3 Fe2 N24 O29 S2
Title of publication	Aromatic foldamers as scaffolds for metal second coordination sphere design
Authors of publication	Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan
Journal of publication	Chemical Science
Year of publication	2020
a	17.679 ± 0.004 Å
b	22.049 ± 0.004 Å
c	25.574 ± 0.005 Å
α	72.8 ± 0.03°
β	73.1 ± 0.03°
γ	79.74 ± 0.03°
Cell volume	9065 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1384
Residual factor for significantly intense reflections	0.1129
Weighted residual factors for significantly intense reflections	0.3401
Weighted residual factors for all reflections included in the refinement	0.3608
Goodness-of-fit parameter for all reflections included in the refinement	1.367
Diffraction radiation wavelength	0.81 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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