Crystallography Open Database

Information card for entry 1575232

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Coordinates	1575232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C198 H216 Ir4 N22 O8
Calculated formula	C198 H216 Ir4 N22 O8
Title of publication	A metallosupramolecular-based ring-in-ring complex showing reversible host-guest dynamics and switchable electrochemical properties.
Authors of publication	Martínez-Visiedo, Joel; Ibáñez, Susana; Dawe, Louise N.; Peris, Eduardo
Journal of publication	Nanoscale
Year of publication	2025
Journal volume	17
Journal issue	35
Pages of publication	20089 - 20095
a	34.3083 ± 0.0013 Å
b	25.6152 ± 0.0004 Å
c	41.4962 ± 0.0018 Å
α	90°
β	117.491 ± 0.005°
γ	90°
Cell volume	32350 ± 2 Å³
Cell temperature	200.15 K
Ambient diffraction temperature	200.15 K
Number of distinct elements	5
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	0.1395
Residual factor for significantly intense reflections	0.108
Weighted residual factors for significantly intense reflections	0.3056
Weighted residual factors for all reflections included in the refinement	0.3566
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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