Crystallography Open Database

Information card for entry 1518312

Preview

Coordinates	1518312.cif

Structure parameters

Formula	C25 H23 Cl3 N2 O2 Pt
Calculated formula	C25 H23 Cl3 N2 O2 Pt
SMILES	[Pt]1([n]2c(c3[n]1cccc3)cccc2)(Oc1ccc(cc1)C)Oc1ccc(cc1)C.C(Cl)(Cl)Cl
Title of publication	Reactivity of [PtCl(n2-C2H4)(N-N)]+, N-N = diimine ligand, with phenol derivatives and first comparison between single crystal X-ray structures of syn- and anti-[Pt(N-N)(phenolate)2] rotamers in the solid state
Authors of publication	Michele Benedetti; Daniela Antonucci; Chiara R. Girelli; Francesco Capitelli; Francesco P. Fanizzi
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Journal volume	409
Pages of publication	427 - 432
a	11.4849 ± 0.0011 Å
b	13.7081 ± 0.0005 Å
c	16.4876 ± 0.0014 Å
α	90°
β	103.268 ± 0.01°
γ	90°
Cell volume	2526.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1526
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518312.cif
127928	2014-11-27	cif/ Updating files of 1518312 Original log message: Missing authorname. Incomplete article title.	1518312.cif
127917	2014-11-26	cif/ Adding structures of 1518312 via cif-deposit CGI script.	1518312.cif