Information card for entry 4329106

Structure parameters

• Formula: C44 H50 Cl2 Mn3 N4 Na O24
• Calculated formula: C44 H50 Cl2 Mn3 N4 Na O24
• SMILES: c1cccc2C3(C[O]4[Mn]56([n]12)([n]1ccccc1C(C)(CO5)C[O]6[Mn]124([O]=C(C(C)C)O2)[O]2CC4(c5cccc[n]5[Mn]562([n]2ccccc2C(C)(CO5)C[O]16)OC4)C)OC3)C.[OH](C)[Na][OH]C.[O-]Cl(=O)(=O)=O.CO.Cl(=O)(=O)(=O)[O-].O.CO
• Title of publication: Two Novel Heterometallic Chains Featuring MnII and NaI Ions in Trigonal-Prismatic Geometries Alternately Linked to Octahedral MnIV Ions: Synthesis, Structures, and Magnetic Behavior
• Authors of publication: Sandip Mukherjee; Yogesh P. Patil; Partha Sarathi Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4888 - 4890
• a: 12.847 ± 0.003 Å
• b: 22.558 ± 0.005 Å
• c: 10.458 ± 0.002 Å
• α: 90°
• β: 120.78 ± 0.03°
• γ: 90°
• Cell volume: 2603.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No