Information card for entry 7008524

Structure parameters

• Formula: C35 H35 Mn N7 O7
• Calculated formula: C35 H35 Mn N7 O7
• SMILES: [Mn]1234(OC(=N[N]1=C(C)c1[n]2c(ccc1)C(=O)C)c1c(O)cccc1)OC(=N[N]3=C(C)c1[n]4c(ccc1)C(=O)C)c1c(O)cccc1.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: 13.4258 ± 0.0013 Å
• b: 15.749 ± 0.002 Å
• c: 16.267 ± 0.002 Å
• α: 90°
• β: 105.174 ± 0.002°
• γ: 90°
• Cell volume: 3319.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No