Crystallography Open Database

Information card for entry 7219358

7219357 << 7219358 >> 7219359

Preview

Coordinates	7219358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl2 N2 O2 Re
Calculated formula	C16 H11 Cl2 N2 O2 Re
SMILES	c12ccccc1C=[N]1c3cccc4ccc[n](c34)[Re]1(Cl)(Cl)(=O)O2
Title of publication	Synthesis, Characterization and DFT Study of Oxorhenium(V) Complexes Incorporating Quinoline Based Tridentate Ligands
Authors of publication	Sarkar, Rupa; Hens, Amar; Rajak, Kajal Krishna
Journal of publication	RSC Adv.
Year of publication	2015
a	7.221 ± 0.0001 Å
b	9.5214 ± 0.0002 Å
c	12.2908 ± 0.0002 Å
α	74.277 ± 0.001°
β	84.604 ± 0.001°
γ	68.143 ± 0.001°
Cell volume	754.93 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.053
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219358.cif
130048	2015-01-22	cif/ Adding structures of 7219358 via cif-deposit CGI script.	7219358.cif