Crystallography Open Database

Information card for entry 4336943

Preview

Coordinates	4336943.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H104 Fe7 O62.5
Calculated formula	C42 H63 Fe7 O62.5
Title of publication	Heptanuclear Antiferromagnetic Fe(III)-d-(-)-Quinato Assemblies with an S= 3/2 Ground State-pH-Specific Synthetic Chemistry, Spectroscopic, Structural, and Magnetic Susceptibility Studies
Authors of publication	M. Menelaou; E. Vournari; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; Y. Sanakis; C. Mateescu; A. Salifoglou
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13849 - 13860
a	11.1003 ± 0.0002 Å
b	21.0919 ± 0.0005 Å
c	40.3401 ± 0.0008 Å
α	90 ± 0.003°
β	90 ± 0.004°
γ	90 ± 0.004°
Cell volume	9444.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336943.cif
103008	2014-02-25	cif/ Adding structures of 4336943 via cif-deposit CGI script.	4336943.cif