Crystallography Open Database

Information card for entry 4331868

Preview

Coordinates	4331868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Ag2 F12 O3 P2 S6
Calculated formula	C36 H48 Ag2 F12 O3 P2 S6
Title of publication	Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity
Authors of publication	Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	952 - 954
a	36.642 ± 0.003 Å
b	8.4389 ± 0.0007 Å
c	15.0328 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4648.4 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1888
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179421 (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 4/33/18.	4331868.cif
97945	2014-01-29	cif/ Adding structures of 4331866, 4331867, 4331868, 4331869, 4331870 via cif-deposit CGI script.	4331868.cif