Crystallography Open Database

Information card for entry 4081427

Preview

Coordinates	4081427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H172 Ag24 F24 N24 O28 S18
Calculated formula	C212 H172 Ag24 F24 N24 O28 S18
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	12.7457 ± 0.0012 Å
b	16.6712 ± 0.0017 Å
c	27.97 ± 0.003 Å
α	90°
β	95.52 ± 0.002°
γ	90°
Cell volume	5915.7 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178703 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/14.	4081427.cif
89232	2013-10-09	cif/ Adding structures of 4081424, 4081425, 4081426, 4081427, 4081428 via cif-deposit CGI script.	4081427.cif