Crystallography Open Database

Information card for entry 1564652

Preview

Coordinates	1564652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Cl3 N3 O Pt
Calculated formula	C21 H24 Cl3 N3 O Pt
SMILES	[Pt]12([n]3ccccc3C[N]1(Cc1[n]2cccc1)Cc1ccccc1O)C.[Cl-].C(Cl)Cl
Title of publication	Push-pull ligands and the oxidation of monomethylplatinum(II) complexes with oxygen or hydrogen peroxide
Authors of publication	Abo-Amer, Anwar; Boyle, Paul D.; Puddephatt, Richard J.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	507
Pages of publication	119580
a	9.0301 ± 0.0018 Å
b	14.053 ± 0.002 Å
c	18.12 ± 0.005 Å
α	90°
β	103.42 ± 0.005°
γ	90°
Cell volume	2236.6 ± 0.8 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
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	0.0636
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
269153 (current)	2021-09-15	cif/ Adding structures of 1564652, 1564653, 1564654, 1564655, 1564656, 1564657 via cif-deposit CGI script.	1564652.cif