Crystallography Open Database

Information card for entry 4333291

Preview

Coordinates	4333291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 Ag3 F9 N10 O15 S12
Calculated formula	C56 H66 Ag3 F9 N10 O15 S12
SMILES	C1C[S]2CCS34CC[S]5CC[N]1([Ag]235S12CC[S]3CC[N]5(CC[S](CC1)[Ag]235S12CC[S]3CC[N]5(CC[S](CC1)[Ag]4235)Cc1ccc(N(=O)=O)cc1)Cc1ccc(N(=O)=O)cc1)Cc1ccc(N(=O)=O)cc1.FC(F)(F)S(=O)(=O)[O-].N#CC.N#CC.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].N#CC.N#CC
Title of publication	Substituent Effects on the Structures of Silver Complexes with Monoazatrithia-12-Crown-4 Ethers Bearing Substituted Aromatic Rings
Authors of publication	Habata, Yoichi; Noto, Kanae; Osaka, Futoshi
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6529 - 6534
a	20.7184 ± 0.0007 Å
b	20.7184 ± 0.0007 Å
c	32.921 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	12238.2 ± 0.9 Å³
Cell temperature	298 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.2228
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179435 (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 4/33/32.	4333291.cif
98907	2014-01-30	cif/ Adding structures of 4333286, 4333287, 4333288, 4333289, 4333290, 4333291 via cif-deposit CGI script.	4333291.cif