Crystallography Open Database

Information card for entry 7232153

Preview

Coordinates	7232153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.2 H9.8 I2 N4.6
Calculated formula	C8 H2 I2 N2
Title of publication	Organic molecular tessellations and intertwined double helices assembled by halogen bonding
Authors of publication	Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	7
Pages of publication	1130
a	17.5338 ± 0.0008 Å
b	10.4983 ± 0.0005 Å
c	28.7697 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	5295.8 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223654 (current)	2019-11-07	cif/ Updating files of 7232153, 7232154, 7232155, 7232156, 7232157 Original log message: Adding full bibliography for 7232153--7232157.cif.	7232153.cif
213031	2019-01-13	cif/ Adding structures of 7232153, 7232154, 7232155, 7232156, 7232157 via cif-deposit CGI script.	7232153.cif