Crystallography Open Database

Information card for entry 7044053

Preview

Coordinates	7044053.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cis-Platinum, [1-[(phenylimino-kN)methyl]-2-naphthalenolato-kO][2-(1-pirazolyl-kN)]phenyl-kC]-
Formula	C26 H19 N3 O Pt
Calculated formula	C26 H19 N3 O Pt
SMILES	[Pt]12(Oc3ccc4ccccc4c3C=[N]1c1ccccc1)[n]1n(c3c2cccc3)ccc1
Title of publication	Cyclometalated Pt(II) complex with bidentate Schiff-base ligand displaying unexpected cis/trans isomery: synthesis, structures and electronic properties.
Authors of publication	Poma, Alessandro; Forni, Alessandra; Baldoli, Clara; Mussini, Patrizia Romana; Bossi, Alberto
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.2805 ± 0.0005 Å
b	10.3894 ± 0.001 Å
c	10.8179 ± 0.0006 Å
α	99.873 ± 0.001°
β	111.348 ± 0.001°
γ	98.636 ± 0.001°
Cell volume	1031.38 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0213
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0432
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
200015 (current)	2017-08-31	cif/ Adding structures of 7044053, 7044054 via cif-deposit CGI script.	7044053.cif