Crystallography Open Database

Information card for entry 4112332

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Coordinates	4112332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H116 Fe2 N2 O10 P2
Calculated formula	C130 H123 Fe2 N2 O11 P2
Title of publication	Oxidation of Sulfide, Phosphine, and Benzyl Substrates Tethered to N-Donor Pyridine Ligands in Carboxylate-Bridged Diiron(II) Complexes
Authors of publication	Emily C. Carson; Stephen J. Lippard
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	3412 - 3413
a	13.1023 ± 0.0015 Å
b	16.1989 ± 0.0018 Å
c	16.5295 ± 0.0018 Å
α	108.52 ± 0.002°
β	101.298 ± 0.002°
γ	113.08 ± 0.002°
Cell volume	2846.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	0.924
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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