Crystallography Open Database

Information card for entry 4120561

4120560 << 4120561 >> 4120562

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Coordinates	4120561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C268 H288 F40 N91.25 O168.2 Pd12
Calculated formula	C268 H288 F40 N91.256 O168.176 Pd12
Title of publication	Recognition of polyfluorinated compounds through self-aggregation in a cavity.
Authors of publication	Takezawa, Hiroki; Murase, Takashi; Resnati, Giuseppe; Metrangolo, Pierangelo; Fujita, Makoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	5
Pages of publication	1786 - 1788
a	25.941 ± 0.005 Å
b	25.941 ± 0.005 Å
c	31.667 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	21310 ± 7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1317
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.226
Weighted residual factors for all reflections included in the refinement	0.2562
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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