Crystallography Open Database

Information card for entry 7236269

Preview

Coordinates	7236269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cl3 N2 O3 Re
Calculated formula	C18 H12 Cl3 N2 O3 Re
Title of publication	Rhenium(i) complexes with phenanthrolines bearing electron-withdrawing Cl and electron-donating CH3 substituents ‒ synthesis, photophysical, thermal, and electrochemical properties with electroluminescence ability
Authors of publication	Świtlicka, Anna; Klemens, Tomasz; Machura, Barbara; Schab-Balcerzak, Ewa; Laba, Katarzyna; Lapkowski, Mieczyslaw; Grucela, Marzena; Nycz, Jacek; Szala, Marcin; Kania, Magdalena
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	114
Pages of publication	112908
a	10.8752 ± 0.0005 Å
b	32.4799 ± 0.0013 Å
c	10.9891 ± 0.0004 Å
α	90°
β	98.199 ± 0.003°
γ	90°
Cell volume	3842 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
235336 (current)	2019-11-23	cif/ Adding structures of 7236269, 7236270, 7236271 via cif-deposit CGI script.	7236269.cif