Information card for entry 4510716

Structure parameters

• Common name: {[Mn2(tppen)(H2O)4(adc)](adc).4H2O}n
• Formula: C37 H50 Mn2 N6 O16
• Calculated formula: C37 H50 Mn2 N6 O16
• Title of publication: Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures
• Authors of publication: Khullar, Sadhika; Mandal, Sanjay K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 3116
• a: 14.5375 ± 0.0009 Å
• b: 8.1374 ± 0.0004 Å
• c: 19.3409 ± 0.0009 Å
• α: 90°
• β: 107.31 ± 0.004°
• γ: 90°
• Cell volume: 2184.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No