Crystallography Open Database

Information card for entry 4505828

Preview

Coordinates	4505828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 Ag4 Cl4 N8 O16 Si4
Calculated formula	C48 H56 Ag4 Cl4 N8 O16 Si4
SMILES	[Ag]1[n]2cc([Si](c3c[n]([Ag][n]4cc([Si](c5c[n]1ccc5)(C)C)ccc4)ccc3)(C)C)ccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	“Cyclic Tetramer” vs “Dimer of Cyclic Dimer”: Subtle Anion Effects on the Cyclization of AgBF4vs AgClO4with Bis(3-pyridyl)dimethylsilane
Authors of publication	Jung, Ok-Sang; Lee, Young-A; Kim, Yun Ju; Hong, Jongki
Journal of publication	Crystal Growth & Design
Year of publication	2002
Journal volume	2
Journal issue	6
Pages of publication	497
a	12.5075 ± 0.0002 Å
b	32.3068 ± 0.0007 Å
c	15.6988 ± 0.0003 Å
α	90°
β	101.081 ± 0.0011°
γ	90°
Cell volume	6225.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1124
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.2206
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179594 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/58.	4505828.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505828.cif
53947	2012-04-20	cif/ Adding structures of 4505827, 4505828 via cif-deposit CGI script.	4505828.cif