Crystallography Open Database

Information card for entry 7029881

Preview

Coordinates	7029881.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,6-Diisopropyl-N-(2-pyridinylmethylene)phenylamine
Formula	C18 H22 N2
Calculated formula	C18 H22 N2
SMILES	N(=C\c1ncccc1)/c1c(C(C)C)cccc1C(C)C
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	15.3674 ± 0.0011 Å
b	15.3674 ± 0.0011 Å
c	13.9783 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3301.1 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
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.	7029881.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.	7029881.cif
110144	2014-04-18	cif/ Adding structures of 7029880, 7029881, 7029882, 7029883, 7029884, 7029885, 7029886, 7029887, 7029888 via cif-deposit CGI script.	7029881.cif