Crystallography Open Database

Information card for entry 4120557

4120556 << 4120557 >> 4120558

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Coordinates	4120557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H156 F28 N44.56 O91.35 Pd6
Calculated formula	C126 H156 F28 N44.564 O91.348 Pd6
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	26.374 ± 0.003 Å
b	26.374 ± 0.003 Å
c	31.884 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	22178 ± 4 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	0.1188
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.226
Weighted residual factors for all reflections included in the refinement	0.2633
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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