Information card for entry 7044440

Structure parameters

• Common name: Galia21 (Masha)
• Formula: C72 H48 F12 Mn4 N10 O15.5 P2
• Calculated formula: C72 H48 F12 Mn4 N10 O15.5 P2
• SMILES: C1(=N[Mn]2345[n]6c1ccc1cccc([O]4[Mn]478N=C(OC)c9[n]4c4c(cc9)cccc4[O]5[Mn]45(N=C(OC)c9[n]4c4c(cc9)cccc4[O]7[Mn]479([n]%10c%11c(ccc%10C(=O)OC)cccc%11[O]84)N=C(c4[n]7c7c(cc4)cccc7[O]59)OC)[O]3c3cccc4ccc([n]2c34)C(=O)OC)c61)OC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CCOCC.O(CC)CC
• Title of publication: Heteroleptic Complexes via Solubility Control: Examples of Cu(II), Co(II), Ni(II) and Mn(II) complexes Based on the Derivatives of Terpyridine and Hydroxyquinoline
• Authors of publication: Baskin, Maria; Fridman, Natalia; Kosa, Monica; Maayan, Galia
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.408 ± 0.0002 Å
• b: 20.761 ± 0.0003 Å
• c: 26.866 ± 0.0005 Å
• α: 90°
• β: 106.036 ± 0.0006°
• γ: 90°
• Cell volume: 7723.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 7
• 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: 0.1254
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No