Crystallography Open Database

Information card for entry 4515862

Preview

Coordinates	4515862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H54 Cl2 N6 O8 Ru
Calculated formula	C67 H54 Cl2 N6 O8 Ru
SMILES	[Ru]1234([n]5c(c6[n]4cccc6)cc(cc5c4[n]3cccc4)c3ccc(/C=C/c4ccc(cc4)C)cc3)[n]3c(cc(cc3c3[n]1cccc3)c1ccc(/C=C/c3ccc(cc3)C)cc1)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].c1c(cccc1)C
Title of publication	Synthesis, Photophysics, and Switchable Luminescence Properties of a New Class of Ruthenium(II)-Terpyridine Complexes Containing Photoisomerizable Styrylbenzene Units.
Authors of publication	Pal, Poulami; Mukherjee, Shruti; Maity, Dinesh; Baitalik, Sujoy
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	10
Pages of publication	14526 - 14537
a	19.593 ± 0.005 Å
b	17.367 ± 0.005 Å
c	18.153 ± 0.005 Å
α	90 ± 0.005°
β	108.269 ± 0.005°
γ	90 ± 0.005°
Cell volume	5866 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0569
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
225960 (current)	2019-11-10	cif/ Adding structures of 4515862 via cif-deposit CGI script.	4515862.cif