Crystallography Open Database

Information card for entry 7245658

Preview

Coordinates	7245658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H57 As8 N12 Ni3 O50.5 S V14
Calculated formula	C12 H46 As8 N12 Ni3 O50.5 S V14
Title of publication	FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties
Authors of publication	Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	45
Pages of publication	29034 - 29047
a	12.9318 ± 0.0006 Å
b	13.4441 ± 0.0007 Å
c	21.2885 ± 0.0013 Å
α	87.26 ± 0.003°
β	77.637 ± 0.002°
γ	68.699 ± 0.003°
Cell volume	3366.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1009
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2161
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278542 (current)	2022-10-12	cif/ Adding structures of 7245658, 7245659, 7245660, 7245661, 7245662, 7245663, 7245664, 7245665, 7245666 via cif-deposit CGI script.	7245658.cif