Crystallography Open Database

Information card for entry 1564741

Preview

Coordinates	1564741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 N O3
Calculated formula	C31 H23 N O3
SMILES	c1(ccc(cc1)C#Cc1ccc(c(c1)/C=N/c1ccc(cc1)C#Cc1ccc(cc1)OC)O)OC
Title of publication	Ru(III)-pseudohalide complexes with alkynyl functionalized salicylaldimine ligand and heterocyclic coligand: Synthesis, characterization, electrochemical and luminescence properties
Authors of publication	Mohite, S.S.; Patil-Deshmukh, A.B.; Chavan, S.S.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	507
Pages of publication	119586
a	26.489 ± 0.003 Å
b	7.2195 ± 0.0007 Å
c	6.2098 ± 0.0006 Å
α	90°
β	93.279 ± 0.005°
γ	90°
Cell volume	1185.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.122
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1781
Weighted residual factors for all reflections included in the refinement	0.2045
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269363 (current)	2021-09-29	cif/ Adding structures of 1564741 via cif-deposit CGI script.	1564741.cif