Crystallography Open Database

Information card for entry 7220971

7220970 << 7220971 >> 7220972

Preview

Coordinates	7220971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Cu N3 O12
Calculated formula	C27 H31 Cu N3 O12
Title of publication	Construction of a series of metal‒organic frameworks based on novel flexible ligand 4-carboxy-1-(3,5-dicarboxy-benzyl)-pyridinium chloride and selective d-block metal ions: crystal structures and photoluminescence
Authors of publication	Li, Hai-Yang; Cao, Li-Hui; Wei, Yong-Li; Xu, Hong; Zang, Shuang-Quan
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	33
Pages of publication	6297
a	10.0801 ± 0.0003 Å
b	10.821 ± 0.0005 Å
c	13.4386 ± 0.0006 Å
α	95.194 ± 0.004°
β	92.144 ± 0.003°
γ	92.391 ± 0.003°
Cell volume	1457.3 ± 0.1 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	0.1
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.2601
Weighted residual factors for all reflections included in the refinement	0.2718
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
171083 (current)	2015-12-09	cif/ Updating files of 7220965, 7220966, 7220967, 7220968, 7220969, 7220970, 7220971 Original log message: Adding full bibliography for 7220965--7220971.cif.	7220971.cif
139896	2015-07-02	cif/ Adding structures of 7220965, 7220966, 7220967, 7220968, 7220969, 7220970, 7220971 via cif-deposit CGI script.	7220971.cif