Crystallography Open Database

Information card for entry 7212039

7212038 << 7212039 >> 7212040

Preview

Coordinates	7212039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 N8 O17 Zn3
Calculated formula	C56 H44 N8 O17 Zn3
Title of publication	pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties
Authors of publication	Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	2157
a	13.345 ± 0.004 Å
b	16.436 ± 0.002 Å
c	25.792 ± 0.005 Å
α	90°
β	90.127 ± 0.003°
γ	90°
Cell volume	5657 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180451 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/20.	7212039.cif
92568	2014-01-12	cif/ Adding structures of 7212034, 7212035, 7212036, 7212037, 7212038, 7212039 via cif-deposit CGI script.	7212039.cif