Crystallography Open Database

Information card for entry 7114264

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Coordinates	7114264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H211 Mn8 N O40
Calculated formula	C113 H197 Mn8 O38
Title of publication	A new synthetic method to Mn carboxylate clusters: reductive fragmentation of [Mn12O12(O2CR)16(H2O)4] to [Mn8O2(O2CR)14(RCO2H)4] (R = CH2But)
Authors of publication	Boskovic, Colette; Huffman, John C.; Christou, George
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	21
Pages of publication	2502
a	14.7812 ± 0.0004 Å
b	15.0833 ± 0.0004 Å
c	35.2358 ± 0.0009 Å
α	78.7348 ± 0.0012°
β	84.8151 ± 0.0012°
γ	61.9138 ± 0.0006°
Cell volume	6797.2 ± 0.3 Å³
Cell temperature	117 ± 2 K
Ambient diffraction temperature	117 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	1.5095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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