Crystallography Open Database

Information card for entry 4067318

Preview

Coordinates	4067318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H37 B Cl2 F4 N2 Pt
Calculated formula	C29.5 H37 B Cl2 F4 N2 Pt
SMILES	[Pt]123(Cl)(=C4N(C=CN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[B](F)(F)(F)[F-].ClCCl
Title of publication	Palladium(II) and Platinum(II) Complexes Featuring a Nitrile-Functionalized N-Heterocyclic Carbene Ligand
Authors of publication	O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	570
a	23.9715 ± 0.0005 Å
b	8.226 ± 0.0001 Å
c	30.7848 ± 0.0007 Å
α	90°
β	99.703 ± 0.0008°
γ	90°
Cell volume	5983.6 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4067318.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067318.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067318.cif
34156	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067313, 4067314, 4067315, 4067316, 4067317, 4067318 via cif-deposit CGI script.	4067318.cif