Information card for entry 7029037

Structure parameters

• Formula: C76 H140 Mn6 O28
• Calculated formula: C76 H140 Mn6 O28
• Title of publication: Efficient synthesis of manganese(ii) carboxylates: from a trinuclear cluster [Mn3(PhCO2)6(THF)4] to a unique [Mn(PhCO2)2]n chiral 3D network.
• Authors of publication: Kornowicz, Arkadiusz; Komorski, Szymon; Wróbel, Zbigniew; Justyniak, Iwona; Nedelko, Natalia; Slawska-Waniewska, Anna; Balawender, Robert; Lewiński, Janusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3048 - 3051
• a: 12.447 ± 0.0013 Å
• b: 18.712 ± 0.0016 Å
• c: 21.509 ± 0.002 Å
• α: 91.782 ± 0.006°
• β: 90.506 ± 0.006°
• γ: 108.686 ± 0.004°
• Cell volume: 4742.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2292
• Residual factor for significantly intense reflections: 0.1761
• Weighted residual factors for significantly intense reflections: 0.3905
• Weighted residual factors for all reflections included in the refinement: 0.4142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No