Crystallography Open Database

Information card for entry 4331574

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Coordinates	4331574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H72 Ag2 B2 F8 O S12
Calculated formula	C111 H72 Ag2 B2 F8 O S12
Title of publication	Three-Dimensional Nets from Star-Shaped Hexakis(arylthio)triphenylene Molecules and Silver(I) Salts
Authors of publication	Li, Kunhao; Xu, Zhengtao; Xu, Hanhui; Carroll, Patrick J.; Fettinger, James C.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1032 - 1037
a	20.1978 ± 0.0006 Å
b	20.1978 ± 0.0006 Å
c	25.0325 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	10212 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
179418 (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 4/33/15.	4331574.cif
97717	2014-01-29	cif/ Adding structures of 4331574, 4331575, 4331576 via cif-deposit CGI script.	4331574.cif