Crystallography Open Database

Information card for entry 4081424

Preview

Coordinates	4081424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H58.5 Ag15 F33 N4 O30.25 S10
Calculated formula	C56 H58.5 Ag15 F33 N4 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	14.2201 ± 0.0011 Å
b	16.421 ± 0.0014 Å
c	24.266 ± 0.002 Å
α	96.258 ± 0.002°
β	94.506 ± 0.002°
γ	110.146 ± 0.003°
Cell volume	5246.9 ± 0.8 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	0.0604
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
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.	4081424.cif
89232	2013-10-09	cif/ Adding structures of 4081424, 4081425, 4081426, 4081427, 4081428 via cif-deposit CGI script.	4081424.cif