Crystallography Open Database

Information card for entry 7232243

Preview

Coordinates	7232243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 N9 O7
Calculated formula	C27 H21 N9 O7
Title of publication	Solvent controlled self-assembly of π-stacked/H-bonded supramolecular organic frameworks from a C3-symmetric monomer for iodine adsorption
Authors of publication	Li, Yangxue; Yu, Haiyang; Xu, Feifan; Guo, Qiaoyuan; Xie, Zhigang; Sun, Zhiyong
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	11
Pages of publication	1742
a	7.4872 ± 0.0006 Å
b	12.4001 ± 0.001 Å
c	17.0797 ± 0.0013 Å
α	109.166 ± 0.002°
β	99.619 ± 0.002°
γ	93.273 ± 0.002°
Cell volume	1466.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1057
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.2061
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223723 (current)	2019-11-07	cif/ Updating files of 7232241, 7232242, 7232243 Original log message: Adding full bibliography for 7232241--7232243.cif.	7232243.cif
213372	2019-01-30	cif/ Adding structures of 7232241, 7232242, 7232243 via cif-deposit CGI script.	7232243.cif