Crystallography Open Database

Information card for entry 7708638

Preview

Coordinates	7708638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 N4 O3 Ru
Calculated formula	C15 H22 N4 O3 Ru
SMILES	[Ru]123456([NH]7[C@H](C(=O)O1)C[C@@H](O)C7)(N=N#N)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)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	7.1174 ± 0.0003 Å
b	9.9265 ± 0.0004 Å
c	23.0044 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1625.28 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.016
Residual factor for significantly intense reflections	0.015
Weighted residual factors for significantly intense reflections	0.0372
Weighted residual factors for all reflections included in the refinement	0.0374
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	7708638.cif