Crystallography Open Database

Information card for entry 1570374

Preview

Coordinates	1570374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6.16 Cl2.84 I N2 O2
Calculated formula	C5 H6 Cl2.84 I N2 O2
Title of publication	(C<sub>5</sub>H<sub>6.16</sub>N<sub>2</sub>Cl<sub>0.84</sub>)(IO<sub>2</sub>Cl<sub>2</sub>): a birefringent crystal featuring unprecedented (IO<sub>2</sub>Cl<sub>2</sub>)<sup>-</sup> anions and π-conjugated organic cations.
Authors of publication	Chen, Qian-Qian; Hu, Chun-Li; Zhang, Ming-Zhi; Mao, Jiang-Gao
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	48
Pages of publication	14302 - 14307
a	7.5387 ± 0.0005 Å
b	8.2803 ± 0.0005 Å
c	8.4979 ± 0.0005 Å
α	83.344 ± 0.005°
β	89.699 ± 0.005°
γ	70.311 ± 0.006°
Cell volume	495.76 ± 0.06 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.029
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
288756 (current)	2024-01-06	cif/ Updating files of 1570374 Original log message: Adding full bibliography for 1570374.cif.	1570374.cif
287816	2023-11-28	cif/ Adding structures of 1570374 via cif-deposit CGI script.	1570374.cif