Crystallography Open Database

Information card for entry 1571896

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Coordinates	1571896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H98 Fe2 I2 P4
Calculated formula	C54 H98 Fe2 I2 P4
Title of publication	Oxidatively-induced C(sp<sup>3</sup>)-C(sp<sup>3</sup>) bond formation at a tucked-in iron(iii) complex.
Authors of publication	Zurakowski, Joseph A.; Durfy, Connor S.; Stocek, Noah B.; Fanchini, Giovanni; Drover, Marcus W.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	27
Pages of publication	10359 - 10365
a	8.878 ± 0.005 Å
b	11.878 ± 0.008 Å
c	15.7 ± 0.008 Å
α	69.02 ± 0.03°
β	75.24 ± 0.03°
γ	75.18 ± 0.03°
Cell volume	1469.8 ± 1.5 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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