Crystallography Open Database

Information card for entry 7127755

Preview

Coordinates	7127755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44 F3 Fe N5 O5 S
Calculated formula	C27 H44 F3 Fe N5 O5 S
Title of publication	Catalytic O<sub>2</sub> activation with synthetic models of α-ketoglutarate dependent oxygenases.
Authors of publication	Sánchez-Eguía, Brenda N; Serrano-Plana, Joan; Company, Anna; Costas, Miquel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	92
Pages of publication	14369 - 14372
a	10.8333 ± 0.0008 Å
b	12.2736 ± 0.0008 Å
c	13.012 ± 0.0009 Å
α	79.726 ± 0.002°
β	74.064 ± 0.002°
γ	81.746 ± 0.002°
Cell volume	1628.8 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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