Crystallography Open Database

Information card for entry 1570180

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Coordinates	1570180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H5 F4 I2
Calculated formula	C14 H5 F4 I2
Title of publication	Halogen bonding with carbon: directional assembly of non-derivatised aromatic carbon systems into robust supramolecular ladder architectures.
Authors of publication	Vainauskas, Jogirdas; Borchers, Tristan H.; Arhangelskis, Mihails; McCormick McPherson, Laura J; Spilfogel, Toni S.; Hamzehpoor, Ehsan; Topić, Filip; Coles, Simon J.; Perepichka, Dmytro F.; Barrett, Christopher J.; Friščić, Tomislav
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	45
Pages of publication	13031 - 13041
a	6.1992 ± 0.0003 Å
b	9.2122 ± 0.0005 Å
c	12.9134 ± 0.0007 Å
α	107.15 ± 0.002°
β	94.642 ± 0.002°
γ	97.251 ± 0.002°
Cell volume	693.58 ± 0.06 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288770 (current)	2024-01-06	cif/ Updating files of 1570178, 1570179, 1570180, 1570181, 1570182, 1570183, 1570184, 1570185, 1570186, 1570187, 1570188 Original log message: Adding full bibliography for 1570178--1570188.cif.	1570180.cif
287095	2023-10-25	cif/ Adding structures of 1570178, 1570179, 1570180, 1570181, 1570182, 1570183, 1570184, 1570185, 1570186, 1570187, 1570188 via cif-deposit CGI script.	1570180.cif