Crystallography Open Database

Information card for entry 1544016

Preview

Coordinates	1544016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Cl2 N3 O4 Ru S
Calculated formula	C25 H27 Cl2 N3 O4 Ru S
SMILES	c1(cccc[n]1[Ru]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C)(Cl)Cl)NC(=O)C1=C(c2ccccc2S(=O)(=O)N1C)O
Title of publication	Arene ruthenium and pentamethylcyclopentadienyl rhodium and iridium complexes containing N,O-chelating ligands derived from piroxicam: Synthesis, molecular structure and cytotoxicity
Authors of publication	Mathiyazhagan Ulaganatha Raja; Jiri Tauchman; Bruno Therrien; Georg Suss-Fink; Tina Riedel; Paul J. Dyson
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	479 - 483
a	9.1907 ± 0.0006 Å
b	12.1973 ± 0.0008 Å
c	12.8848 ± 0.0008 Å
α	114.157 ± 0.005°
β	90.68 ± 0.005°
γ	92.396 ± 0.005°
Cell volume	1316.1 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544016.cif
186157	2016-09-06	cif/ Adding structures of 1544016 via cif-deposit CGI script.	1544016.cif