Crystallography Open Database

Information card for entry 4348297

Preview

Coordinates	4348297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 Br2 Cl2 N2 Pt
Calculated formula	C23 H18 Br2 Cl2 N2 Pt
SMILES	[Pt]12([n]3c(c4c1cccc4)cccc3)([n]1c(c3c2cccc3)cccc1)(Br)Br.C(Cl)Cl
Title of publication	Influence of Ancillary Ligands and Isomerism on the Luminescence of Bis-cyclometalated Platinum(IV) Complexes.
Authors of publication	Juliá, Fabio; García-Legaz, María-Dulce; Bautista, Delia; González-Herrero, Pablo
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7647 - 7660
a	12.7573 ± 0.0011 Å
b	13.6342 ± 0.0012 Å
c	13.0045 ± 0.0011 Å
α	90°
β	97.128 ± 0.003°
γ	90°
Cell volume	2244.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0525
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
232867 (current)	2019-11-23	cif/ Adding structures of 4348296, 4348297, 4348298, 4348299, 4348300 via cif-deposit CGI script.	4348297.cif