Crystallography Open Database

Information card for entry 4081425

Preview

Coordinates	4081425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H57.5 Ag15 F33 N5 O30.2 S10
Calculated formula	C55 H57.5 Ag15 F33 N5 O30.25 S10
Title of publication	Silver‒Organic Frameworks Containing Ethynediide or Ethynide with Ancillary Oligo-α-sulfanylpyrazinyl and Dimethylsulfoxide Ligands
Authors of publication	Wen, Li-Li; Wang, Han; Wan, Chong-Qing; Mak, Thomas C. W.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	18
Pages of publication	5144
a	14.0905 ± 0.0012 Å
b	16.1932 ± 0.0013 Å
c	24.018 ± 0.002 Å
α	96.232 ± 0.002°
β	94.909 ± 0.003°
γ	110.381 ± 0.002°
Cell volume	5061.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4081425.cif
89232	2013-10-09	cif/ Adding structures of 4081424, 4081425, 4081426, 4081427, 4081428 via cif-deposit CGI script.	4081425.cif