Crystallography Open Database

Information card for entry 4115170

Preview

Coordinates	4115170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H206 Cu10 N8 O33 S12
Calculated formula	C146 H134 Cu10 N8 O33 S12
Title of publication	Synthesis, Structure, and Ferromagnetic Behavior of Decacopper(II) Cluster Complex Supported by Hexaanionic p-tert-Butylthiacalix[6]arene
Authors of publication	Takashi Kajiwara; Noriyoshi Kon; Shuichi Yokozawa; Tasuku Ito; Nobuhiko Iki; Sotaro Miyano
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	11274 - 11275
a	30.043 ± 0.003 Å
b	17.1273 ± 0.0018 Å
c	35.197 ± 0.004 Å
α	90°
β	97.659 ± 0.002°
γ	90°
Cell volume	17949 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0958
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178922 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/51.	4115170.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115170.cif
68599	2012-11-07	cif/ Adding structures of 4115170 via cif-deposit CGI script.	4115170.cif