Crystallography Open Database

Information card for entry 4106202

Preview

Coordinates	4106202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H28.5 Ag2 F4.5 N8 O4.5 S1.5
Calculated formula	C28.5 H28.5 Ag2 F4.5 N8 O4.5 S1.5
Title of publication	Designed Synthesis of Metal Cluster-Centered Pseudo-Rotaxane Supramolecular Architectures
Authors of publication	Cai-Yan Gao; Liang Zhao; Mei-Xiang Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8448 - 8451
a	32.205 ± 0.006 Å
b	12.094 ± 0.002 Å
c	22.004 ± 0.004 Å
α	90°
β	125.94 ± 0.03°
γ	90°
Cell volume	6939 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0877
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2171
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
178808 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/62.	4106202.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106202.cif
53000	2012-04-17	cif/ Adding structures of 4106202 via cif-deposit CGI script.	4106202.cif