Crystallography Open Database

Information card for entry 4314068

Preview

Coordinates	4314068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 Ag B F4 N5 O2
Calculated formula	C33 H27 Ag B F4 N5 O2
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	3.8099 ± 0.0003 Å
b	11.8095 ± 0.0009 Å
c	16.4554 ± 0.0012 Å
α	84.265 ± 0.002°
β	83.833 ± 0.002°
γ	85.556 ± 0.002°
Cell volume	730.74 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4314068.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4314068.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314068.cif
7140	2011-01-13	../uploads/cif-deposit/cod/cif Adding structures of 4314068 via cif-deposit CGI script.	4314068.cif