Crystallography Open Database

Information card for entry 7112805

Preview

Coordinates	7112805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H222 Cu24 N144 O321 S36 Si8 W96
Calculated formula	C126 H216 Cu24 N144 O321 S36 Si8 W96
Title of publication	Self-assembly of nanometre-scale metallacalix[4]arene building blocks and Keggin units to a novel (3,4)-connected 3D self-penetrating framework.
Authors of publication	Wang, Xiuli; Hu, Hailiang; Liu, Guocheng; Lin, Hongyan; Tian, Aixiang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	35
Pages of publication	6485 - 6487
a	27.0553 ± 0.0015 Å
b	27.0553 ± 0.0015 Å
c	63.159 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	40038 ± 4 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112805.cif
112098	2014-04-29	cif/ Adding structures of 7112805 via cif-deposit CGI script.	7112805.cif