Crystallography Open Database

Information card for entry 7243248

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Coordinates	7243248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H126 Fe10 N4 Na2 O41
Calculated formula	C73 H122 Fe10 N4 Na2 O41
Title of publication	A {Na2Fe10} isobutyrate cluster, interlinked into 1D chains
Authors of publication	Podgornii, Daniel; van Leusen, Jan; Kravtsov, Victor Ch.; Kögerler, Paul; Baca, Svetlana G.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	30
Pages of publication	5153 - 5156
a	25.2017 ± 0.0013 Å
b	18.1205 ± 0.0012 Å
c	24.0709 ± 0.001 Å
α	90°
β	105.576 ± 0.005°
γ	90°
Cell volume	10588.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1622
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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