Crystallography Open Database

Information card for entry 4305188

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Coordinates	4305188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 Cl5 Fe N4 O6
Calculated formula	C23 H22 Cl5 Fe N4 O6
Title of publication	Novel Iron(III) Complexes of Sterically Hindered 4N Ligands: Regioselectivity in Biomimetic Extradiol Cleavage of Catechols
Authors of publication	Ramasamy Mayilmurugan; Helen Stoeckli-Evans; Mallayan Palaniandavar
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	6645 - 6658
a	8.8148 ± 0.0011 Å
b	16.0344 ± 0.0019 Å
c	18.993 ± 0.003 Å
α	90°
β	102.337 ± 0.011°
γ	90°
Cell volume	2622.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	0.859
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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