Crystallography Open Database

Information card for entry 7711592

Preview

Coordinates	7711592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.35 H81.05 Cl2 N12.35 Ni O26.7
Calculated formula	C64.35 H81.05 Cl2 N12.35 Ni O26.7
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	10.8136 ± 0.0003 Å
b	14.3149 ± 0.0004 Å
c	14.8173 ± 0.0005 Å
α	114.84 ± 0.003°
β	110.408 ± 0.003°
γ	95.136 ± 0.002°
Cell volume	1874.2 ± 0.13 Å³
Cell temperature	136 ± 11 K
Ambient diffraction temperature	136 ± 11 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7711592.cif