Crystallography Open Database

Information card for entry 4501838

Preview

Coordinates	4501838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 Ag F3 N4 O3.5 S
Calculated formula	C31 H22 Ag F3 N4 O3.5 S
Title of publication	Silver Coordination Polymers Based on Neutral Trinitrile Ligand: Topology and the Role of Anion
Authors of publication	Ni, Jia; Wei, Kai-Ju; Liu, Yangzhong; Huang, Xiao-Chun; Li, Dan
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	9
Pages of publication	3964
a	10.0613 ± 0.0008 Å
b	26.359 ± 0.002 Å
c	11.993 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3180.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	30
Hermann-Mauguin space group symbol	P n c 2
Hall space group symbol	P 2 -2bc
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1104
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	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.	4501838.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501838.cif
36132	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501832, 4501833, 4501834, 4501835, 4501836, 4501837, 4501838, 4501839 via cif-deposit CGI script.	4501838.cif