Crystallography Open Database

Information card for entry 4334296

Preview

Coordinates	4334296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H121 Ho3 N2 O20 S8 Zn
Calculated formula	C93 H88 Ho3 N2 O20 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	23.4538 ± 0.0009 Å
b	12.942 ± 0.0003 Å
c	36.2915 ± 0.0013 Å
α	90°
β	100.78 ± 0.002°
γ	90°
Cell volume	10821.5 ± 0.6 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	0.0573
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	4334296.cif
100113	2014-02-04	cif/ Adding structures of 4334296 via cif-deposit CGI script.	4334296.cif