Crystallography Open Database

Information card for entry 4511556

Preview

Coordinates	4511556.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	JAAGB
Formula	C21 H23 Ag2 B2 F8 N9 O2 S2
Calculated formula	C21 H23 Ag2 B2 F8 N9 O2 S2
Title of publication	Increasing Structural Dimensionality in Ag(I) Coordination Polymers Formed from the Same Flexible Multimodal Thioether Pyrazine Ligand
Authors of publication	Amoore, Jarrod J. M.; Black, Cory A.; Hanton, Lyall R.; Spicer, Mark D.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	3
Pages of publication	1255
a	10.7108 ± 0.0001 Å
b	13.2616 ± 0.0002 Å
c	20.7926 ± 0.0003 Å
α	90°
β	92.5034 ± 0.0004°
γ	90°
Cell volume	2950.61 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0299
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
179662 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/15.	4511556.cif
119737	2014-07-08	cif/ Adding structures of 4511554, 4511555, 4511556 via cif-deposit CGI script.	4511556.cif