Crystallography Open Database

Information card for entry 7218146

Preview

Coordinates	7218146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Br2 N2 O2
Calculated formula	C9 H9 Br2 N2 O2
Title of publication	Investigation of Hydrogen Bonding Patterns in A Series of Multi-component Molecular Solids Formed by Tetrabromoterephthalic Acid with Selected N-heterocycles
Authors of publication	Wang, Lei; Hu, Yanjing; Xu, Wenyan; pang, Yanyan; Liu, Faqian; Yang, Yu
Journal of publication	RSC Adv.
Year of publication	2014
a	8.1803 ± 0.0008 Å
b	8.7685 ± 0.0007 Å
c	8.9983 ± 0.001 Å
α	115.443 ± 0.01°
β	102.074 ± 0.009°
γ	91.498 ± 0.008°
Cell volume	565.01 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
180512 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/81.	7218146.cif
123924	2014-09-17	cif/ Adding structures of 7218140, 7218141, 7218142, 7218143, 7218144, 7218145, 7218146, 7218147 via cif-deposit CGI script.	7218146.cif