Crystallography Open Database

Information card for entry 7711591

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Coordinates	7711591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H68 Cu F6 N8 O14 S2
Calculated formula	C58 H64 Cu F6 N8 O14 S2
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	19.2084 ± 0.0004 Å
b	10.2197 ± 0.0003 Å
c	19.4085 ± 0.0006 Å
α	90°
β	104.758 ± 0.003°
γ	90°
Cell volume	3684.28 ± 0.18 Å³
Cell temperature	150 ± 0.14 K
Ambient diffraction temperature	150 ± 0.14 K
Number of distinct elements	7
Space group number	3
Hermann-Mauguin space group symbol	P 1 2 1
Hall space group symbol	P 2y
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.2806
Weighted residual factors for all reflections included in the refinement	0.2961
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7711591.cif