Crystallography Open Database

Information card for entry 7133106

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Coordinates	7133106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H60 Co2 N6 O19
Calculated formula	C68 H60 Co2 N6 O19
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	16.795 ± 0.0009 Å
b	33.97 ± 0.002 Å
c	13.8988 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7929.6 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.2003
Weighted residual factors for all reflections included in the refinement	0.2519
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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