Crystallography Open Database

Information card for entry 7110823

Preview

Coordinates	7110823.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Ag(2,2'-bpyz)]BF4.2MeNO2}
Chemical name	{Silver(I)(2,2'-bipyrazine)](tetrafluoroborate)}n.MeNO2 solvate
Formula	C10 H12 Ag B F4 N6 O4
Calculated formula	C10 H12 Ag B F4 N6 O4
Title of publication	Synthesis of a chiral adamantoid network— the role of solvent in the construction of new coordination networks with silver(i)
Authors of publication	Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Nicolson, James E. B.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	8
Pages of publication	665
a	11.396 ± 0.007 Å
b	11.396 ± 0.007 Å
c	13.913 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1807 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110823.cif
171772	2015-12-31	cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries.	7110823.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7110823.cif
95942	2014-01-28	cif/ Adding structures of 7110823, 7110824 via cif-deposit CGI script.	7110823.cif