Crystallography Open Database

Information card for entry 4308517

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Coordinates	4308517.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	01108
Formula	C58 H52 F6 Fe2 N10 O8 S2
Calculated formula	C58.0064 H52 F6.0192 Fe2 N10 O8.0192 S2.0064
Title of publication	Dioxygen Binding to Complexes with FeII2(μ-OH)2 Cores: Steric Control of Activation Barriers and O2-Adduct Formation
Authors of publication	Sergey V. Kryatov; Sonia Taktak; Ivan V. Korendovych; Elena V. Rybak-Akimova; József Kaizer; Stéphane Torelli; Xiaopeng Shan; Sanjay Mandal; Vicki L. MacMurdo; Antoni Mairata i Payeras; Lawrence Que
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	85 - 99
a	11.6282 ± 0.0006 Å
b	18.89 ± 0.001 Å
c	13.3536 ± 0.0008 Å
α	90°
β	98.956 ± 0.001°
γ	90°
Cell volume	2897.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0667
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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