Crystallography Open Database

Information card for entry 7239786

Preview

Coordinates	7239786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 N4 Pt
Calculated formula	C24 H18 N4 Pt
Title of publication	On the photophysical properties of Ir<sup>III</sup>, Pt<sup>II</sup>, and Pd<sup>II</sup> (phenylpyrazole) (phenyldipyrrin) complexes.
Authors of publication	Föller, Jelena; Friese, Daniel H.; Riese, Stefan; Kaminski, Jeremy M.; Metz, Simon; Schmidt, David; Würthner, Frank; Lambert, Christoph; Marian, Christel M.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2020
Journal volume	22
Journal issue	6
Pages of publication	3217 - 3233
a	28.1541 ± 0.0009 Å
b	7.891 ± 0.0003 Å
c	17.6912 ± 0.0006 Å
α	90°
β	106.211 ± 0.001°
γ	90°
Cell volume	3774.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0474
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.203
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
249053 (current)	2020-03-05	cif/ Updating files of 7239786, 7239787 Original log message: Adding full bibliography for 7239786--7239787.cif.	7239786.cif
247048	2020-01-21	cif/ Adding structures of 7239786, 7239787 via cif-deposit CGI script.	7239786.cif