Crystallography Open Database

Information card for entry 7025129

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Coordinates	7025129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H124 Fe4 N6 Ni2 O28
Calculated formula	C72 H124 Fe4 N6 Ni2 O28
Title of publication	Rational design of covalently bridged [FeIII2MIIO] clusters
Authors of publication	Alborés, Pablo; Rentschler, Eva
Journal of publication	Dalton Transactions
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	5005
a	11.7753 ± 0.0004 Å
b	13.5794 ± 0.0004 Å
c	17.9814 ± 0.0006 Å
α	108.749 ± 0.0012°
β	105.762 ± 0.0012°
γ	106.822 ± 0.0012°
Cell volume	2385.95 ± 0.14 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	0.0531
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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