Crystallography Open Database

Information card for entry 4344036

Preview

Coordinates	4344036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H35 Cl3 F4 N2 O4 Pt2
Calculated formula	C45 H35 Cl3 F4 N2 O4 Pt2
Title of publication	Photostable Fluorophenyl-Substituted Cyclometalated Platinum(II) Emitters for Monitoring of Molecular Oxygen in Real Time.
Authors of publication	Xing, Yang; Liu, Chun; Xiu, Jing-Hai; Li, Jiu-Yan
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	16
Pages of publication	7783 - 7790
a	13.184 ± 0.002 Å
b	11.97 ± 0.002 Å
c	26.428 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4170.7 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1064
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4344036.cif
160500	2015-10-06	cif/ Updating files of 4344036, 4344037 Original log message: Adding full bibliography for 4344036--4344037.cif.	4344036.cif
152665	2015-08-01	cif/ Adding structures of 4344036 via cif-deposit CGI script.	4344036.cif