Crystallography Open Database

Information card for entry 7110959

Preview

Coordinates	7110959.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3-mesityl-1-(2-picolyl)-imidazolin-2-ylidene) palladium methyl bromide
Formula	C19 H22 Br N3 Pd
Calculated formula	C19 H22 Br N3 Pd
SMILES	[Pd]1(Br)(=C2N(C=CN2Cc2[n]1cccc2)c1c(cc(cc1C)C)C)C
Title of publication	Pyridine functionalised N-heterocyclic carbene complexes of palladium
Authors of publication	Tulloch, Arran A. D.; Danopoulos, Andreas A.; Cafferkey, Sean M.; Kleinhenz, Sven; Hursthouse, Michael B.; Tooze, Robert P.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	14
Pages of publication	1247
a	24.521 ± 0.004 Å
b	24.521 ± 0.004 Å
c	20.201 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	10519 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1142
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
180223 (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 7/11/09.	7110959.cif
96082	2014-01-28	cif/ Adding structures of 7110959, 7110960 via cif-deposit CGI script.	7110959.cif