Crystallography Open Database

Information card for entry 7243821

Preview

Coordinates	7243821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Br4 I2 N4 O2
Calculated formula	C18 H18 Br4 I2 N4 O2
Title of publication	Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer
Authors of publication	Milašinović, Valentina; Molčanov, Krešimir
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	46
Pages of publication	8209 - 8214
a	7.057 ± 0.0004 Å
b	12.6851 ± 0.0006 Å
c	14.8883 ± 0.0009 Å
α	80.126 ± 0.004°
β	77.986 ± 0.005°
γ	76.607 ± 0.005°
Cell volume	1257.45 ± 0.12 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271173 (current)	2021-12-07	cif/ Updating files of 7243821, 7243822, 7243823, 7243824, 7243825, 7243826 Original log message: Adding full bibliography for 7243821--7243826.cif.	7243821.cif
270216	2021-11-03	cif/ Adding structures of 7243821, 7243822, 7243823, 7243824, 7243825, 7243826 via cif-deposit CGI script.	7243821.cif