Crystallography Open Database

Information card for entry 7243521

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Coordinates	7243521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H8 F42 I2 N4 O
Calculated formula	C32 H8 F42 I2 N4 O
Title of publication	Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals
Authors of publication	Saccone, Marco; Pace, Andrea; Pibiri, Ivana; Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	41
Pages of publication	7324 - 7333
a	28.89 ± 0.004 Å
b	5.5858 ± 0.0008 Å
c	28.523 ± 0.003 Å
α	90°
β	104.4 ± 0.02°
γ	90°
Cell volume	4458.3 ± 1.1 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1009
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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