Crystallography Open Database

Information card for entry 1566177

Preview

Coordinates	1566177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H122 Ce4 Fe4 N10 O33
Calculated formula	C59 H122 Ce4 Fe4 N10 O33
Title of publication	Octanuclear heterometallic FeIII-CeIV pivalate clusters: From a close {Fe4Ce4(μ4-O)4} cage to an open {Fe4Ce4(μ4-O)2(μ3-O)2} core
Authors of publication	Baca, Svetlana G.; Amombo Noa, Francoise M.; Öhrström, Lars
Journal of publication	Inorganica Chimica Acta
Year of publication	2021
Journal volume	515
Pages of publication	120038
a	12.20595 ± 0.00012 Å
b	13.30987 ± 0.00016 Å
c	15.93445 ± 0.00016 Å
α	110.73 ± 0.001°
β	98.5246 ± 0.0009°
γ	110.735 ± 0.001°
Cell volume	2150.71 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0331
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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