Information card for entry 7036160

Structure parameters

• Formula: C42 H36 Mn2 N2 O8 Si2
• Calculated formula: C42 H36 Mn2 N2 O8 Si2
• Title of publication: Construction of a robust pillared-layer framework based on the rare paddlewheel subunit [Mn(μ-O2CR)4L2]: synthesis, crystal structure and magnetic properties.
• Authors of publication: Gupta, Vijay; Khullar, Sadhika; Kumar, Sandeep; Mandal, Sanjay K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16778 - 16784
• a: 8.532 ± 0.012 Å
• b: 10.794 ± 0.015 Å
• c: 11.375 ± 0.016 Å
• α: 73.267 ± 0.016°
• β: 82.708 ± 0.016°
• γ: 87.105 ± 0.018°
• Cell volume: 995 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No