Information card for entry 7215039

Structure parameters

• Common name: (Mn3(obc)3(phen)2)(2H2O)
• Formula: C66 H44 Mn3 N4 O17
• Calculated formula: C66 H40 Mn3 N4 O17
• Title of publication: Structure evolution and coordination modes of metal-carboxylate frameworks with robust linear trinuclear complexes as building units
• Authors of publication: Kim, YooJin; Jung, Duk-Young
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4567
• a: 15.2012 ± 0.0011 Å
• b: 16.7136 ± 0.0012 Å
• c: 25.8544 ± 0.0019 Å
• α: 90°
• β: 90.26 ± 0.001°
• γ: 90°
• Cell volume: 6568.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No