Crystallography Open Database

Information card for entry 4312784

Preview

Coordinates	4312784.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[H2B(3,5-(CF3)2Pz)2]Ag(2,4,6-collidine)
Formula	C18 H15 Ag B F12 N5
Calculated formula	C18 H15 Ag B F12 N5
SMILES	[Ag]1([n]2c(cc(cc2C)C)C)[n]2n([BH2]n3[n]1c(cc3C(F)(F)F)C(F)(F)F)c(cc2C(F)(F)F)C(F)(F)F
Title of publication	Blue Phosphors of Dinuclear and Mononuclear Copper(I) and Silver(I) Complexes of 3,5-Bis(trifluoromethyl)pyrazolate and the Related Bis(pyrazolyl)borate
Authors of publication	Mohammad A. Omary; Manal A. Rawashdeh-Omary; Himashinie V. K. Diyabalanage; H. V. Rasika Dias
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	8612 - 8614
a	8.8022 ± 0.0007 Å
b	15.0721 ± 0.0011 Å
c	8.8024 ± 0.0007 Å
α	90°
β	99.612 ± 0.002°
γ	90°
Cell volume	1151.4 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0737
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
179166 (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 4/31/27.	4312784.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312784.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312784.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4312784.cif
5847	2011-01-07	../uploads/cif-deposit/cod/cif Adding structures of 4312784 via cif-deposit CGI script.	4312784.cif