Crystallography Open Database

Information card for entry 7219177

7219176 << 7219177 >> 7219178

Preview

Coordinates	7219177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 N2 O5 Ru S
Calculated formula	C14 H22 N2 O5 Ru S
SMILES	C1(=O)[C@@H]2C[S](C)[Ru]34567([c]8([cH]7[cH]6[c]5([cH]4[cH]38)C)C(C)C)([NH2]2)O1.N(=O)(=O)[O-]
Title of publication	Half-sandwich complexes of ruthenium, osmium, rhodium and iridium with DL-methionine or S-methyl-L-cysteine: A solid state and solution equilibrium study
Authors of publication	Patalenszki, János; Bíró, Linda; Benyei, Attila; Muchova, Tereza Radosova; Kasparkova, Jana; Buglyo, Peter
Journal of publication	RSC Adv.
Year of publication	2014
a	12.891 ± 0.001 Å
b	7.611 ± 0.001 Å
c	18.041 ± 0.001 Å
α	90°
β	99.51 ± 0.01°
γ	90°
Cell volume	1745.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1564
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180522 (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 7/21/91.	7219177.cif
129032	2014-12-24	cif/ Adding structures of 7219177, 7219178 via cif-deposit CGI script.	7219177.cif