Crystallography Open Database

Information card for entry 7052069

7052068 << 7052069 >> 7052070

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Coordinates	7052069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H58 Cl2 Fe4 N8 O18
Calculated formula	C52 H58 Cl2 Fe4 N8 O18
Title of publication	Formation of oxo-bridged tetrairon(iii) complexes mediated by oxygen activation. Structure, spectroscopy, magnetism and electrochemistry
Authors of publication	Sujit K. Dutta; Meenakshi Ghosh; Papu Biswas; Ulrich Flörke; Cristoph Saal; Wolfgang Haase; Kamalaksha Nag
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	1
Pages of publication	93
a	16.936 ± 0.003 Å
b	15.203 ± 0.003 Å
c	21.457 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5524.7 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2755
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	0.733
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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