Crystallography Open Database

Information card for entry 7236219

Preview

Coordinates	7236219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 Br Cl N3 O3 Re
Calculated formula	C24 H14 Br Cl N3 O3 Re
Title of publication	Synthesis, photophysical properties and application in organic light emitting devices of rhenium(i) carbonyls incorporating functionalized 2,2′:6′,2′′-terpyridines
Authors of publication	Klemens, Tomasz; Świtlicka-Olszewska, Anna; Machura, Barbara; Grucela, Marzena; Janeczek, Henryk; Schab-Balcerzak, Ewa; Szlapa, Agata; Kula, Slawomir; Krompiec, Stanisław; Smolarek, Karolina; Kowalska, Dorota; Mackowski, Sebastian; Erfurt, Karol; Lodowski, Piotr
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	61
Pages of publication	56335
a	9.4203 ± 0.0006 Å
b	20.6584 ± 0.0008 Å
c	11.8992 ± 0.0007 Å
α	90°
β	104.218 ± 0.006°
γ	90°
Cell volume	2244.7 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0581
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235282 (current)	2019-11-23	cif/ Adding structures of 7236217, 7236218, 7236219, 7236220 via cif-deposit CGI script.	7236219.cif