Information card for entry 4510713

Structure parameters

• Common name: {[Mn2(tpbn)(adc)2(H2O)2].2CH3OH}n
• Formula: C38 H44 Mn2 N6 O12
• Calculated formula: C38 H44 Mn2 N6 O12
• 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: 10.0974 ± 0.0002 Å
• b: 10.2305 ± 0.0002 Å
• c: 11.0096 ± 0.0002 Å
• α: 64.965 ± 0.001°
• β: 78.8 ± 0.001°
• γ: 78.323 ± 0.001°
• Cell volume: 1001.55 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No