Crystallography Open Database

Information card for entry 7245665

Preview

Coordinates	7245665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H50 Cl32 Fe10 N24 O0.45
Calculated formula	C72 H50 Cl32 Fe10 N24 O0.452
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	11.9688 ± 0.0017 Å
b	40.521 ± 0.006 Å
c	15.23 ± 0.002 Å
α	90°
β	111.591 ± 0.004°
γ	90°
Cell volume	6868.1 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1646
Residual factor for significantly intense reflections	0.0946
Weighted residual factors for significantly intense reflections	0.207
Weighted residual factors for all reflections included in the refinement	0.2252
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
278542 (current)	2022-10-12	cif/ Adding structures of 7245658, 7245659, 7245660, 7245661, 7245662, 7245663, 7245664, 7245665, 7245666 via cif-deposit CGI script.	7245665.cif