Crystallography Open Database

Information card for entry 7046212

Preview

Coordinates	7046212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H30 Cl2 F6 Ir N4 P
Calculated formula	C41 H30 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	18.8332 ± 0.0003 Å
b	37.4125 ± 0.0005 Å
c	10.8478 ± 0.00014 Å
α	90°
β	98.0557 ± 0.0013°
γ	90°
Cell volume	7567.91 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0708
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
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
229261 (current)	2019-11-17	cif/ Updating files of 7046210, 7046211, 7046212 Original log message: Adding full bibliography for 7046210--7046212.cif.	7046212.cif
207619	2018-05-02	cif/ Adding structures of 7046210, 7046211, 7046212 via cif-deposit CGI script.	7046212.cif