Crystallography Open Database

Information card for entry 4314066

Preview

Coordinates	4314066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Ag N5 O3
Calculated formula	C32 H24 Ag N5 O3
SMILES	c1c(c2ccccc2)nc(c[n]1[Ag][n]1cc(c2ccccc2)nc(c1)c1ccccc1)c1ccccc1.N(=O)(=O)[O-]
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	7.1361 ± 0.0006 Å
b	30.91 ± 0.002 Å
c	11.9478 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2635.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4314066.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4314066.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314066.cif
7138	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4314066 via cif-deposit CGI script.	4314066.cif