Crystallography Open Database

Information card for entry 7122719

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Coordinates	7122719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H69 N7 O8 Pd2
Calculated formula	C46 H66 N6 O8 Pd2
Title of publication	Size-selective encapsulation of C60 and C60-derivatives within an adaptable naphthalene-based tetragonal prismatic supramolecular nanocapsule
Authors of publication	García-Simón, Cristina; Monferrer, Alba; Garcia-Borràs, Marc; Imaz, Inhar; Maspoch, Daniel; Costas, Miquel; Ribas, Xavi
Journal of publication	Chemical Communications
Year of publication	2018
a	38.293 ± 0.006 Å
b	9.5059 ± 0.0014 Å
c	34.347 ± 0.006 Å
α	90°
β	117.823 ± 0.002°
γ	90°
Cell volume	11057 ± 3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 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	0.211
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2415
Weighted residual factors for all reflections included in the refinement	0.3075
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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