Crystallography Open Database

Information card for entry 4347126

Preview

Coordinates	4347126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H84 Br8 Fe4 N28 O6
Calculated formula	C104 H84 Br8 Fe4 N28 O6
Title of publication	Spin-State Versatility in a Series of Fe4 [2 ×2] Grid Complexes: Effects of Counteranions, Lattice Solvent, and Intramolecular Cooperativity.
Authors of publication	Steinert, Markus; Schneider, Benjamin; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	2363 - 2373
a	20.1962 ± 0.0003 Å
b	20.1962 ± 0.0003 Å
c	25.0077 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	10200.3 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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