Crystallography Open Database

Information card for entry 1557715

Preview

Coordinates	1557715.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN
Formula	C23 H36 Cl N5 O3 P Pt S
Calculated formula	C23 Cl N5 O3 P Pt S
SMILES	[Pt]1(c2c(c3[n]1cccc3)scc2)(Cl)[P](N1CCOCC1)(N1CCOCC1)N1CCOCC1.N#CC
Title of publication	Crystal Structures and Spectroscopic Properties of trans-N,P-[Pt(ppy)(Pmor3)Cl] and trans-N,P-[Pt(tpy)(Pmor3)Cl].CH3CN [ppy = N,C'-chelated 2-phenylpyridinate, tpy = N,C'-Chelated 2-(2'-thienyl)pyridinate, Pmor3 = tris(morpholino)phosphine]
Authors of publication	Balashev, Konstantin P.; Engebretsen, Thoralf; Kvam, Per-Inge; Maartmann-Moe, Knut; Puzyk, Michael V.; Songstad, Jon
Journal of publication	Acta Chemica Scandinavica
Year of publication	1996
Journal volume	50
Pages of publication	1108 - 1115
a	12.415 ± 0.004 Å
b	12.731 ± 0.001 Å
c	16.702 ± 0.006 Å
α	90°
β	105.42 ± 0.02°
γ	90°
Cell volume	2544.8 ± 1.3 Å³
Ambient diffraction temperature	93 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.033
Goodness-of-fit parameter for all reflections included in the refinement	1.626
Diffraction radiation probe	x-ray
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
249963 (current)	2020-04-02	cif/ Adding structures of 1557715 via cif-deposit CGI script.	1557715.cif