Crystallography Open Database

Information card for entry 7242974

Preview

Coordinates	7242974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 I2 N O6
Calculated formula	C14 H8 I2 N O6
Title of publication	A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium
Authors of publication	Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	27
Pages of publication	4840 - 4847
a	14.811 ± 0.006 Å
b	9.023 ± 0.004 Å
c	24.11 ± 0.01 Å
α	90°
β	106.673 ± 0.007°
γ	90°
Cell volume	3087 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	296.15 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	0.0637
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
268640 (current)	2021-09-06	cif/ Updating files of 7242972, 7242973, 7242974 Original log message: Adding full bibliography for 7242972--7242974.cif.	7242974.cif
266190	2021-06-06	cif/ Adding structures of 7242972, 7242973, 7242974 via cif-deposit CGI script.	7242974.cif