Crystallography Open Database

Information card for entry 1532146

Preview

Coordinates	1532146.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	a10315c
Formula	C24 H12 N6 O6
Calculated formula	C24 H12 N6 O6
Title of publication	The construction of supramolecular polymers through anion bridging: from frustrated hydrogen-bonding networks to well-ordered linear arrays
Authors of publication	Zhan, Tian-Guang; Zhou, Tian-You; Qi, Qiao-Yan; Wu, Jian; Li, Guang-Yu; Zhao, Xin
Journal of publication	Polym. Chem.
Year of publication	2015
Journal volume	6
Journal issue	43
Pages of publication	7586
a	7.235 ± 0.002 Å
b	41.244 ± 0.013 Å
c	21.816 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	6510 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1998
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	0.665
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
176428 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	1532146.cif
171374	2015-12-09	cif/ Updating files of 1532146 Original log message: Adding full bibliography for 1532146.cif.	1532146.cif
157791	2015-09-18	cif/ Adding structures of 1532146 via cif-deposit CGI script.	1532146.cif