Crystallography Open Database

Information card for entry 7711593

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Coordinates	7711593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H80 Cl2 Cu N12 O26
Calculated formula	C64 H80 Cl2 Cu N12 O26
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	10.6841 ± 0.0002 Å
b	24.5941 ± 0.0005 Å
c	14.2949 ± 0.0003 Å
α	90°
β	100.679 ± 0.002°
γ	90°
Cell volume	3691.16 ± 0.13 Å³
Cell temperature	113 ± 3 K
Ambient diffraction temperature	113 ± 3 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.2077
Weighted residual factors for all reflections included in the refinement	0.2111
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	7711593.cif