Crystallography Open Database

Information card for entry 7036835

Preview

Coordinates	7036835.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cu(PPh3)tpym]PF6
Formula	C35 H29 Cl3 Cu F6 N3 P2
Calculated formula	C35 H29 Cl3 Cu F6 N3 P2
Title of publication	A new class of deep-blue emitting Cu(i) compounds - effects of counter ions on the emission behavior.
Authors of publication	Gneuß, Timo; Leitl, Markus J.; Finger, Lars H.; Yersin, Hartmut; Sundermeyer, Jörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	20045 - 20055
a	8.597 ± 0.0003 Å
b	18.9423 ± 0.0008 Å
c	11.595 ± 0.0005 Å
α	90°
β	107.2 ± 0.001°
γ	90°
Cell volume	1803.77 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171116 (current)	2015-12-09	cif/ Updating files of 7036835, 7036836, 7036837 Original log message: Adding full bibliography for 7036835--7036837.cif.	7036835.cif
164970	2015-10-10	cif/ Adding structures of 7036835, 7036836, 7036837 via cif-deposit CGI script.	7036835.cif