Crystallography Open Database

Information card for entry 7219304

7219303 << 7219304 >> 7219305

Preview

Coordinates	7219304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 Cl2 N3 O Ru S
Calculated formula	C29 H29 Cl2 N3 O Ru S
SMILES	[Ru]12(Cl)(Cl)([N](Cc3c4ccccc4cc4ccccc34)(Cc3[n]1cccc3)Cc1[n]2cccc1)[S](=O)(C)C
Title of publication	Syntheses, crystal structures and antimicrobial activities of Cu(ii), Ru(ii), and Pt(ii) compounds with an anthracene-containing tripodal ligand
Authors of publication	Yuan, Zeli; Shen, Xiaomin; Huang, Jiandong
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	14
Pages of publication	10521
a	25.875 ± 0.004 Å
b	25.875 ± 0.004 Å
c	25.597 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	14842 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7219304.cif
129672	2015-01-15	cif/ Adding structures of 7219304, 7219305, 7219306 via cif-deposit CGI script.	7219304.cif