Crystallography Open Database

Information card for entry 7712154

Preview

Coordinates	7712154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.8 H33.7 Cl6 Fe4 N4.7 O6.4
Calculated formula	C31.8 H30 Cl6 Fe4 N4.7 O6.4
Title of publication	Synthesis and structural, magnetic and spectroscopic characterization of iron(III) complexes with <i>in situ</i> formed ligands from methyl-2-pyridyl ketone transformations.
Authors of publication	Tzani, Sofia; Pissas, Michael; Psycharis, Vassilis; Pantazis, Dimitrios A.; Sanakis, Yiannis; Raptopoulou, Catherine P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1582 - 1594
a	34.0344 ± 0.0002 Å
b	34.0344 ± 0.0002 Å
c	21.8653 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	21934.2 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283296 (current)	2023-05-05	cif/ Updating files of 7712154, 7712155 Original log message: Adding full bibliography for 7712154--7712155.cif.	7712154.cif
280424	2023-01-19	cif/ Adding structures of 7712154, 7712155 via cif-deposit CGI script.	7712154.cif