Crystallography Open Database

Information card for entry 7711589

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Coordinates	7711589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 Cu F6 N4 O8 S2
Calculated formula	C25 H28 Cu F6 N4 O8 S2
SMILES	[Cu]123([OH2])[n]4ccccc4C[N]1(Cc1cccc[n]21)CCC(=[O]3)N[C@H](c1ccccc1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes
Authors of publication	Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.54762 ± 0.0001 Å
b	11.11838 ± 0.00014 Å
c	34.2531 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3255.27 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0397
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278841 (current)	2022-10-28	cif/ Adding structures of 7711589, 7711590, 7711591, 7711592, 7711593 via cif-deposit CGI script.	7711589.cif