Crystallography Open Database

Information card for entry 7219193

7219192 << 7219193 >> 7219194

Preview

Coordinates	7219193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Cl4 N O4
Calculated formula	C9 H6 Cl4 N O4
Title of publication	Using Halogen•••Halogen Interactions or C/N‒H•••Cl Hydrogen Bonding to Direct Crystal Packing in Tetrachlorophthalic Acid with N‒heterocyclic Compounds
Authors of publication	Hu, Yanjing; Li, Zhiqiang; Zhao, Yiran; Yang, Yu; Liu, Faqian; Wang, Lei
Journal of publication	RSC Adv.
Year of publication	2014
a	36.8502 ± 0.0017 Å
b	5.5385 ± 0.0002 Å
c	12.552 ± 0.0006 Å
α	90°
β	105.115 ± 0.006°
γ	90°
Cell volume	2473.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7219193.html