Crystallography Open Database

Information card for entry 7133105

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Coordinates	7133105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H58 Cu2 N6 O16
Calculated formula	C68 H58 Cu2 N6 O16
Title of publication	Mechanical bonding of rigid MORFs using a tetratopic rotaxane
Authors of publication	Saura-Sanmartin, Adrian; Cutillas-Font, Guillermo; Martinez-Cuezva, Alberto; Alajarin, Mateo; Esteban-Betegon, Fatima; Pena-Sánchez, Pilar; Gándara, Felipe; Berna, Jose
Journal of publication	Chemical Communications
Year of publication	2024
a	32.307 ± 0.002 Å
b	14.1238 ± 0.0011 Å
c	16.6531 ± 0.0012 Å
α	90°
β	97.426 ± 0.003°
γ	90°
Cell volume	7535 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0989
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for significantly intense reflections	0.1768
Weighted residual factors for all reflections included in the refinement	0.1894
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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