Crystallography Open Database

Information card for entry 7220131

7220130 << 7220131 >> 7220132

Preview

Coordinates	7220131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H48 N40 O16 S0 Zn4
Calculated formula	C64 H48 N40 O16 Zn4
Title of publication	Substituted group directed assembly of zinc coordination compounds based on bifunctional ligands, from mono, di to tristetrazole-carboxylate
Authors of publication	Li, Qiao-Yun; Tian, He; Li, Xiu Yun; Zou, Jian Hua; Mei, Guo Dong; Qiu, Li Jun; Wei, Bo; Yang, Gao-Wen
Journal of publication	RSC Adv.
Year of publication	2015
a	22.524 ± 0.004 Å
b	8.637 ± 0.0017 Å
c	9.758 ± 0.002 Å
α	90°
β	113.25 ± 0.03°
γ	90°
Cell volume	1744.2 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220131.cif
135729	2015-05-08	cif/ Adding structures of 7220130, 7220131, 7220132, 7220133 via cif-deposit CGI script.	7220131.cif