Crystallography Open Database

Information card for entry 4068459

Preview

Coordinates	4068459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 Cl4 N2 Pt
Calculated formula	C19 H22 Cl4 N2 Pt
SMILES	[Pt]12(Cl)[N](=Cc3c(c4c2cc(cc4)C)cccc3Cl)CC[N]1(C)C.C(Cl)Cl
Title of publication	Five- and Seven-Membered Metallacycles in [C,N,N′] and [C,N] Cycloplatinated Compounds
Authors of publication	Martín, Raquel; Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	2
Pages of publication	587
a	8.043 ± 0.008 Å
b	11.709 ± 0.002 Å
c	11.828 ± 0.006 Å
α	90.5 ± 0.03°
β	109.26 ± 0.06°
γ	91.57 ± 0.04°
Cell volume	1051 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	4068459.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068459.cif
39776	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068458, 4068459, 4068460, 4068461 via cif-deposit CGI script.	4068459.cif