Crystallography Open Database

Information card for entry 7005290

Preview

Coordinates	7005290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Mn3 O18
Calculated formula	C18 H18 Mn3 O18
Title of publication	New insights into the thermal stability of Mn12 clusters: The case of complex [Mn12O12(O2CC?CH)16(H2O)4]?3H2O and its thermolysis derived [Mn3(O2CC?CH)6(H2O)4]?2H2O complex
Authors of publication	Jordi Gómez-Segura; Javier Campo; Inhar Imaz; Klaus Wurst; Jaume Veciana; Philippe Gerbier; Daniel Ruiz-Molina
Journal of publication	Dalton Transactions
Year of publication	2007
Journal issue	23
Pages of publication	2450
a	9.28 ± 0.0002 Å
b	9.4132 ± 0.0002 Å
c	14.9675 ± 0.0003 Å
α	90°
β	99.63 ± 0.001°
γ	90°
Cell volume	1289.05 ± 0.05 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
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	0.022
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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