Crystallography Open Database

Information card for entry 7704078

Preview

Coordinates	7704078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80.88 H52.62 Cl0.38 F6 Ir N7 O0.25 P
Calculated formula	C80.875 H52.625 Cl0.375 F6 Ir N7 O0.25 P
Title of publication	Luminescent organic dyes containing a phenanthro[9,10-D]imidazole core and [Ir(N^C)(N^N)]<sup>+</sup> complexes based on the cyclometalating and diimine ligands of this type.
Authors of publication	Solomatina, Anastasia I.; Kuznetsov, Kirill M.; Gurzhiy, Vladislav V.; Pavlovskiy, Vladimir V.; Porsev, Vitaly V.; Evarestov, Robert A.; Tunik, Sergey P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6751 - 6763
a	17.5554 ± 0.0002 Å
b	20.8344 ± 0.0003 Å
c	21.1839 ± 0.0004 Å
α	61.714 ± 0.002°
β	86.958 ± 0.001°
γ	82.312 ± 0.001°
Cell volume	6761.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1619
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252790 (current)	2020-06-05	cif/ Updating files of 7704075, 7704076, 7704077, 7704078, 7704079, 7704080 Original log message: Adding full bibliography for 7704075--7704080.cif.	7704078.cif
250757	2020-04-15	cif/ Adding structures of 7704075, 7704076, 7704077, 7704078, 7704079, 7704080 via cif-deposit CGI script.	7704078.cif