Crystallography Open Database

Information card for entry 4334293

Preview

Coordinates	4334293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H121 Gd3 N2 O20 S8 Zn
Calculated formula	C92.6 H96.4 Gd3 N2 O19.75 S8 Zn
Title of publication	Thiacalix[4]arene-Supported Kite-Like Heterometallic Tetranuclear ZnIILnIII3 (Ln = Gd, Tb, Dy, Ho) Complexes
Authors of publication	Kongzhao Su; Feilong Jiang; Jinjie Qian; Mingyan Wu; Kecai Xiong; Yanli Gai; Maochun Hong
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3780 - 3786
a	23.265 ± 0.007 Å
b	12.925 ± 0.003 Å
c	36.562 ± 0.01 Å
α	90°
β	100.366 ± 0.005°
γ	90°
Cell volume	10815 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0843
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2068
Weighted residual factors for all reflections included in the refinement	0.2134
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
179445 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334293.cif
100110	2014-02-04	cif/ Adding structures of 4334293 via cif-deposit CGI script.	4334293.cif