Crystallography Open Database

Information card for entry 7044054

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Coordinates	7044054.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-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(Oc3c(c4c(cc3)cccc4)C=[N]1c1ccccc1)[n]1n(ccc1)c1ccccc21
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	6.0323 ± 0.0002 Å
b	17.1459 ± 0.0006 Å
c	20.2051 ± 0.0008 Å
α	103.023 ± 0.002°
β	90.698 ± 0.002°
γ	90.502 ± 0.002°
Cell volume	2035.75 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0673
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0437
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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.	7044054.cif