Crystallography Open Database

Information card for entry 4000952

Preview

Coordinates	4000952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Ag2 N4 O10 S2
Calculated formula	C22 H28 Ag2 N4 O10 S2
Title of publication	Synthesis, Characterization, and Catalytic Application of a Cationic Metal−Organic Framework: Ag2(4,4′-bipy)2(O3SCH2CH2SO3)
Authors of publication	Fei, Honghan; Paw U, Latisha; Rogow, David L.; Bresler, Marc R.; Abdollahian, Yashar A.; Oliver, Scott R. J.
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	6
Pages of publication	2027
a	8.1174 ± 0.0017 Å
b	9.286 ± 0.0019 Å
c	10.297 ± 0.002 Å
α	71.589 ± 0.002°
β	75.392 ± 0.002°
γ	71.286 ± 0.002°
Cell volume	687.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.87
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000952.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000952.cif
36597	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000952 via cif-deposit CGI script.	4000952.cif