Crystallography Open Database

Information card for entry 4326638

Preview

Coordinates	4326638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H82 Ag2 F12 N8 O P2 S2
Calculated formula	C54.97 H81.94 Ag2 F12 N8 O0.99 P2 S2
Title of publication	Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands
Authors of publication	Irene Bassanetti; Luciano Marchiò
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10786 - 10797
a	19.316 ± 0.001 Å
b	17.068 ± 0.001 Å
c	21.141 ± 0.002 Å
α	90°
β	102.624 ± 0.002°
γ	90°
Cell volume	6801.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179369 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/66.	4326638.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326638.cif
49412	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326638 via cif-deposit CGI script.	4326638.cif