Crystallography Open Database

Information card for entry 7212038

7212037 << 7212038 >> 7212039

Preview

Coordinates	7212038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 N8 O17 Zn2
Calculated formula	C56 H40 N8 O17 Zn2
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	10.001 ± 0.002 Å
b	20.682 ± 0.003 Å
c	13.341 ± 0.002 Å
α	90°
β	90.525 ± 0.006°
γ	90°
Cell volume	2759.3 ± 0.8 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7212038.cif
92568	2014-01-12	cif/ Adding structures of 7212034, 7212035, 7212036, 7212037, 7212038, 7212039 via cif-deposit CGI script.	7212038.cif