Crystallography Open Database

Information card for entry 1564656

Preview

Coordinates	1564656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 Cl2 N3 O5 Pt
Calculated formula	C20 H27 Cl2 N3 O5 Pt
SMILES	[Pt]123(Oc4c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)cc(cc4)Cl)(O)C.O.O.O.[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	10.6 ± 0.003 Å
b	10.954 ± 0.002 Å
c	11.714 ± 0.003 Å
α	96.462 ± 0.01°
β	99.179 ± 0.01°
γ	103.836 ± 0.012°
Cell volume	1287.6 ± 0.6 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	1564656.cif