Crystallography Open Database

Information card for entry 7708640

Preview

Coordinates	7708640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 I N O3 Ru
Calculated formula	C15 H22 I N O3 Ru
SMILES	[Ru]123456(I)([NH]7[C@H](C(=O)O1)C[C@@H](O)C7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
Title of publication	Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.
Authors of publication	Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	10.4798 ± 0.0007 Å
b	11.7879 ± 0.0008 Å
c	13.2428 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1635.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.395
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
270127 (current)	2021-10-29	cif/ Adding structures of 7708636, 7708637, 7708638, 7708639, 7708640, 7708641 via cif-deposit CGI script.	7708640.cif