Information card for entry 7008526

Structure parameters

• Formula: C26 H30 Mn N6 O7
• Calculated formula: C26 H30 Mn N6 O7
• SMILES: [Mn]1234([OH2])([OH2])[n]5c(cccc5C(C)=[N]1NC(=[O]2)c1ccccc1[O-])C(C)=[N]3NC(=[O]4)c1ccccc1[O-].CN(C)C=O
• Title of publication: Versatility of 2,6-diacetylpyridine (dap) hydrazones in stabilizing uncommon coordination geometries of Mn(II): synthesis, spectroscopic, magnetic and structural characterization.
• Authors of publication: Naskar, Subhendu; Mishra, Dipankar; Chattopadhyay, Shyamal Kumar; Corbella, Montserrat; Blake, Alexander J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2428 - 2435
• a: 7.4635 ± 0.0008 Å
• b: 13.908 ± 0.002 Å
• c: 15.216 ± 0.002 Å
• α: 114.421 ± 0.002°
• β: 96.351 ± 0.002°
• γ: 102.314 ± 0.002°
• Cell volume: 1369.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No