Crystallography Open Database

Information card for entry 7712104

Preview

Coordinates	7712104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 Cl N3 Pt
Calculated formula	C21 H16 Cl N3 Pt
SMILES	c1ccnc2c3c([Pt](Cl)([n]12)[n]1ccccc1)ccc(c3)c1ccccc1
Title of publication	Phosphorescent cyclometalated platinum(II) complexes with phenyldiazine N^C ligands.
Authors of publication	Hruzd, Mariia; Kahlal, Samia; le Poul, Nicolas; Wojcik, Laurianne; Cordier, Marie; Saillard, Jean-Yves; Rodríguez-López, Julián; Robin-le Guen, Françoise; Gauthier, Sébastien; Achelle, Sylvain
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	7
Pages of publication	1927 - 1938
a	11.6802 ± 0.001 Å
b	7.3821 ± 0.0007 Å
c	20.8746 ± 0.0018 Å
α	90°
β	94.571 ± 0.003°
γ	90°
Cell volume	1794.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
283325 (current)	2023-05-05	cif/ Updating files of 7712102, 7712103, 7712104 Original log message: Adding full bibliography for 7712102--7712104.cif.	7712104.cif
280315	2023-01-13	cif/ Adding structures of 7712102, 7712103, 7712104 via cif-deposit CGI script.	7712104.cif