Crystallography Open Database

Information card for entry 7046210

Preview

Coordinates	7046210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.75 H41.5 Cl1.5 F6 Ir N4 O5 P
Calculated formula	C54.75 H41.5 Cl1.5 F6 Ir N4 O5 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	12.8631 ± 0.0003 Å
b	14.9901 ± 0.0004 Å
c	16.3368 ± 0.0003 Å
α	110.018 ± 0.0019°
β	99.1822 ± 0.0017°
γ	100.822 ± 0.0019°
Cell volume	2820.28 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0538
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7046210.cif
207619	2018-05-02	cif/ Adding structures of 7046210, 7046211, 7046212 via cif-deposit CGI script.	7046210.cif