Crystallography Open Database

Information card for entry 7057587

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Coordinates	7057587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H120 Fe8 K11 N12 O87.6
Calculated formula	C116 H120 Fe8 K11 N12 O87.6
Title of publication	Crystal structure of gluconate bound iron(iii) complex: synthesis, characterization and redox properties of the complex in aqueous solution
Authors of publication	Stewart, Christopher D.; Arman, Hadi; Benavides, Brenda; Musie, Ghezai T.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	18
Pages of publication	15088
a	19.4006 ± 0.0008 Å
b	19.7985 ± 0.0007 Å
c	22.1693 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	8515.3 ± 0.7 Å³
Cell temperature	98 K
Ambient diffraction temperature	98 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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