Crystallography Open Database

Information card for entry 7125313

Preview

Coordinates	7125313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 N3 Na2.58333 O6
Calculated formula	C24 H12 N3 Na2.58333 O6
SMILES	[O-]C(=O)c1ccc(c2nc(nc(n2)c2ccc(cc2)C(=O)[O-])c2ccc(cc2)C(=O)[O-])cc1.[Na+].[Na+].[Na+]
Title of publication	An anionic Na(i)-organic framework platform: separation of organic dyes and post-modification for highly sensitive detection of picric acid.
Authors of publication	Chen, Di-Ming; Tian, Jia-Yue; Wang, Zhuo-Wei; Liu, Chun-Sen; Chen, Min; Du, Miao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	77
Pages of publication	10668 - 10671
a	48.1642 ± 0.0008 Å
b	48.1642 ± 0.0008 Å
c	48.1642 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	111731 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	219
Hermann-Mauguin space group symbol	F -4 3 c
Hall space group symbol	F -4a 2 3
Residual factor for all reflections	0.1252
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2603
Weighted residual factors for all reflections included in the refinement	0.2877
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290444 (current)	2024-03-12	cif/7: Fixing Z values and formulae	7125313.cif
235594	2019-11-23	cif/ Adding structures of 7125313 via cif-deposit CGI script.	7125313.cif