Crystallography Open Database

Information card for entry 7029883

Preview

Coordinates	7029883.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(2,6-diisopropylphenyl)imidazo[1,5-a]pyridin-2-ium hexafluorophosphate
Formula	C19 H23 F6 N2 P
Calculated formula	C19 H23 F6 N2 P
Title of publication	Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.
Authors of publication	Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	23
Pages of publication	8781 - 8791
a	16.367 ± 0.0016 Å
b	13.09 ± 0.002 Å
c	9.463 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2027.4 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180004 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/98.	7029883.cif
116276	2014-06-07	cif/ Updating files of 7029880, 7029881, 7029882, 7029883, 7029884, 7029885, 7029886, 7029887, 7029888 Original log message: Adding full bibliography for 7029880--7029888.cif.	7029883.cif
110144	2014-04-18	cif/ Adding structures of 7029880, 7029881, 7029882, 7029883, 7029884, 7029885, 7029886, 7029887, 7029888 via cif-deposit CGI script.	7029883.cif