Crystallography Open Database

Information card for entry 7052070

7052069 << 7052070 >> 7052071

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Coordinates	7052070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H62 Cl2 Fe4 N8 O18
Calculated formula	C62 H62 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	21.958 ± 0.004 Å
b	15.182 ± 0.003 Å
c	19.591 ± 0.004 Å
α	90°
β	91.61 ± 0.02°
γ	90°
Cell volume	6528 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1307
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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