Information card for entry 2239265

Structure parameters

• Chemical name: Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) methanol monosolvate
• Formula: C44 H31 Cl2 Cu Mn N7 O5
• Calculated formula: C44 H31 Cl2 Cu Mn N7 O5
• SMILES: [Mn]123(Cl)(OC(=O)c4[n]2c(C(=O)O1)ccc4)[n]1c2c4[n]3cccc4ccc2ccc1.[Cu]12(Cl)([n]3c4c5[n]1cccc5ccc4ccc3)[n]1c3c4[n]2cccc4ccc3ccc1.OC
• Title of publication: Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chlorido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)manganate(II) methanol monosolvate
• Authors of publication: Buvailo, Halyna I.; Rusanova, Julia A.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Zubatyuk, Roman I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: m147 - m148
• a: 10.368 ± 0.0004 Å
• b: 12.5332 ± 0.0004 Å
• c: 17.2709 ± 0.0006 Å
• α: 72.966 ± 0.003°
• β: 74.709 ± 0.003°
• γ: 89.262 ± 0.003°
• Cell volume: 2064.79 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes