Crystallography Open Database

Information card for entry 4068438

Preview

Coordinates	4068438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cl2 F6 N3 P Pt
Calculated formula	C32 H28 Cl2 F6 N3 P Pt
SMILES	[Pt]1(c2cccc3ccc4ccc[n]1c4c23)(C#[N]c1c(cccc1C)C)C#[N]c1c(cccc1C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Synthesis and Luminescence of Cyclometalated Compounds with Nitrile and Isocyanide Ligands†
Authors of publication	Díez, Álvaro; Forniés, Juan; Fuertes, Sara; Lalinde, Elena; Larraz, Carmen; López, José A.; Martín, Antonio; Moreno, M. Teresa; Sicilia, Violeta
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1705
a	8.2841 ± 0.0001 Å
b	17.3713 ± 0.0002 Å
c	21.6571 ± 0.0002 Å
α	90°
β	90.838 ± 0.001°
γ	90°
Cell volume	3116.24 ± 0.06 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.017
Residual factor for significantly intense reflections	0.0147
Weighted residual factors for significantly intense reflections	0.0375
Weighted residual factors for all reflections included in the refinement	0.0381
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068438.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068438.cif
39760	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068437, 4068438 via cif-deposit CGI script.	4068438.cif