Crystallography Open Database

Information card for entry 7056898

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Coordinates	7056898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H108 Fe6 N12 O42 P12
Calculated formula	C36 H108 Fe6 N12 O42 P12
Title of publication	Hexanuclear iron(iii) α-aminophosphonate: synthesis, structure, and magnetic properties of a molecular wheel
Authors of publication	Doroshenko, Iaroslav; Babiak, Michal; Buchholz, Axel; Tucek, Jiri; Plass, Winfried; Pinkas, Jiri
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	3
Pages of publication	1931
a	26.4924 ± 0.0003 Å
b	17.347 ± 0.0002 Å
c	27.3768 ± 0.0003 Å
α	90°
β	106.53 ± 0.001°
γ	90°
Cell volume	12061.4 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0468
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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