Crystallography Open Database

Information card for entry 7006787

Preview

Coordinates	7006787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 Ag2 F6 N6 O6 S8
Calculated formula	C34 H50 Ag2 F6 N6 O6 S8
SMILES	C1C[N]23Cc4c[n](ccc4)[Ag]45[N]6(CC[S]4CCSCC[S]5CC6)Cc4c[n]([Ag]53[S]1CCSCC[S]5CC2)ccc4.FC(F)(S(=O)(=O)[O-])F.N#CC.FC(F)(F)S(=O)(=O)[O-].N#CC
Title of publication	Dimetallo[3.3]para- and metacyclophanes by self-assembly of pyridylmethyl armed-monoazatrithia- and monoazadithiaoxa-12-crown-4 ethers with Ag+ ions.
Authors of publication	Habata, Yoichi; Osaka, Futoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	15
Pages of publication	1836 - 1841
a	14.4836 ± 0.0008 Å
b	12.5433 ± 0.0007 Å
c	13.727 ± 0.0008 Å
α	90°
β	108.815 ± 0.001°
γ	90°
Cell volume	2360.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0418
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179771 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/67.	7006787.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006787.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006787.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006787.cif