Crystallography Open Database

Information card for entry 4308253

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Coordinates	4308253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H83 Cl6 Fe14 N18 O28.5
Calculated formula	C34 H66 Cl6 Fe14 N18 O28.5
Title of publication	1,2,3-Triazolate-Bridged Tetradecametallic Transition Metal Clusters [M14(L)6O6(OMe)18X6] (M = FeIII, CrIII and VIII/IV) and Related Compounds: Ground-State Spins Ranging from S=0 to S=25 and Spin-Enhanced Magnetocaloric Effect
Authors of publication	Rachel Shaw; Rebecca H. Laye; Leigh F. Jones; David M. Low; Caytie Talbot-Eeckelaers; Qiang Wei; Constantinos J. Milios; Simon Teat; Madeleine Helliwell; James Raftery; Marco Evangelisti; Marco Affronte; David Collison; Euan K. Brechin; Eric J. L. McInnes
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4968 - 4978
a	13.049 ± 0.002 Å
b	17.069 ± 0.003 Å
c	16.566 ± 0.003 Å
α	90°
β	108.139 ± 0.002°
γ	90°
Cell volume	3506.4 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1335
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.6893 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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