Crystallography Open Database

Information card for entry 7246790

Preview

Coordinates	7246790.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cu(PPh2Et)2bcp(PF6)]
Formula	C27 H23 Cu0.5 F3 N P1.5
Calculated formula	C27 H23 Cu0.5 F3 N P1.5
Title of publication	Structural change dynamics of heteroleptic Cu(I) complexes observed by ultrafast emission spectroscopy.
Authors of publication	Sanga, Masashi; Nakamura, Kosuke; Iwamura, Munetaka; Nozaki, Koichi; Takeda, Hiroyuki; Monma, Yu; Ishitani, Osamu
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	23
Pages of publication	15873 - 15884
a	19.756 ± 0.0004 Å
b	19.756 ± 0.0004 Å
c	20.2456 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	6843.2 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284978 (current)	2023-07-05	cif/ Updating files of 7246790 Original log message: Adding full bibliography for 7246790.cif.	7246790.cif
283799	2023-05-16	cif/ Adding structures of 7246790 via cif-deposit CGI script.	7246790.cif