Crystallography Open Database

Information card for entry 4314064

Preview

Coordinates	4314064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 Ag6 F18 N4 O12
Calculated formula	C66 H56 Ag6 F18 N4 O12
Title of publication	Silver(I) Coordination Chemistry of 2,6-Diarylpyrazines. π-Stacking, Anion Coordination, and Steric Control
Authors of publication	Nate Schultheiss; Douglas R. Powell; Eric Bosch
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	5304 - 5310
a	11.7717 ± 0.0006 Å
b	24.9539 ± 0.0012 Å
c	12.821 ± 0.0006 Å
α	90°
β	110.828 ± 0.002°
γ	90°
Cell volume	3520.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179209 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/40.	4314064.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4314064.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314064.cif
7136	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4314064 via cif-deposit CGI script.	4314064.cif