Crystallography Open Database

Information card for entry 1568790

Preview

Coordinates	1568790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 Cl F6 N2 O4 P Ru
Calculated formula	C42 H48 Cl F6 N2 O4 P Ru
SMILES	[C@@H]12[C@@H]([C@H]([C@@H]([C@@H](COCc3ccccc3)O2)OCc2ccccc2)OCc2ccccc2)[NH2][Ru]23456([c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)([n]2c1cccc2)Cl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Half-Sandwich Type Platinum-Group Metal Complexes of C-Glucosaminyl Azines: Synthesis and Antineoplastic and Antimicrobial Activities
Authors of publication	Kacsir, István; Sipos, Adrienn; Major, Evelin; Bajusz, Nikolett; Bényei, Attila; Buglyó, Péter; Somsák, László; Kardos, Gábor; Bai, Péter; Bokor, Éva
Journal of publication	Molecules
Year of publication	2023
Journal volume	28
Journal issue	7
Pages of publication	3058
a	11.6071 ± 0.0016 Å
b	16.655 ± 0.002 Å
c	11.7541 ± 0.0019 Å
α	90°
β	113.396 ± 0.003°
γ	90°
Cell volume	2085.4 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1504
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.1847
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
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
282369 (current)	2023-04-05	cif/ Adding structures of 1568790 via cif-deposit CGI script.	1568790.cif