Crystallography Open Database

Information card for entry 7215840

Preview

Coordinates	7215840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Ag F3 N4 O3 S
Calculated formula	C21 H20 Ag F3 N4 O3 S
Title of publication	The influence of anion, ligand geometry and stoichiometry on the structure and dimensionality of a series of AgI-bis(cyanobenzyl)piperazine coordination polymers
Authors of publication	Beeching, Lianna J.; Hawes, Chris S.; Turner, David R.; Batten, Stuart R.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6459
a	13.631 ± 0.0008 Å
b	16.7804 ± 0.0008 Å
c	10.9261 ± 0.0006 Å
α	90°
β	115.623 ± 0.002°
γ	90°
Cell volume	2253.4 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
180489 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/58.	7215840.cif
119425	2014-07-07	cif/ Updating files of 7215836, 7215837, 7215838, 7215839, 7215840, 7215841, 7215842 Original log message: Adding full bibliography for 7215836--7215842.cif.	7215840.cif
113343	2014-05-11	cif/ Adding structures of 7215836, 7215837, 7215838, 7215839, 7215840, 7215841, 7215842 via cif-deposit CGI script.	7215840.cif