Crystallography Open Database

Information card for entry 7716962

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Coordinates	7716962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H62 Br2 Cl Dy N4 O17 Zn2
Calculated formula	C48 H60 Br2 Cl Dy N4 O16 Zn2
Title of publication	The effect of co-ligands on the performance of single-molecule magnet behaviours in a family of linear trinuclear Zn-Dy-Zn complexes with a compartmental Schiff base.
Authors of publication	Nandy, Rakhi; Jagličić, Zvonko; Jana, Narayan Ch; Brandão, Paula; Bustamante, Fabián; Aravena, Daniel; Panja, Anangamohan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	33
Pages of publication	13968 - 13981
a	12.5327 ± 0.0007 Å
b	19.9571 ± 0.0011 Å
c	23.5431 ± 0.0012 Å
α	90°
β	97.405 ± 0.002°
γ	90°
Cell volume	5839.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294367 (current)	2024-09-04	cif/ Adding structures of 7716959, 7716960, 7716961, 7716962 via cif-deposit CGI script.	7716962.cif