Crystallography Open Database

Information card for entry 7046211

Preview

Coordinates	7046211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H34 Cl2 F6 Ir N4 P
Calculated formula	C43 H34 Cl2 F6 Ir N4 P
Title of publication	A rare example of a compact heteroleptic cyclometalated iridium(iii) complex demonstrating well-separated dual emission.
Authors of publication	Gitlina, Anastasia Yu; Ivonina, Maria V.; Sizov, Vladimir V.; Starova, Galina L.; Pushkarev, Anatoly P.; Volyniuk, Dmytro; Tunik, Sergey P.; Koshevoy, Igor O.; Grachova, Elena V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	22
Pages of publication	7578 - 7586
a	9.7209 ± 0.0004 Å
b	11.7561 ± 0.0004 Å
c	18.1069 ± 0.0007 Å
α	92.843 ± 0.003°
β	96.989 ± 0.004°
γ	109.734 ± 0.004°
Cell volume	1924.13 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229261 (current)	2019-11-17	cif/ Updating files of 7046210, 7046211, 7046212 Original log message: Adding full bibliography for 7046210--7046212.cif.	7046211.cif
207619	2018-05-02	cif/ Adding structures of 7046210, 7046211, 7046212 via cif-deposit CGI script.	7046211.cif