Information card for entry 7017687

Structure parameters

• Formula: C40 H40 Cu2 Mn N6 O6
• Calculated formula: C40 H40 Cu2 Mn N6 O6
• SMILES: c12ccccc1C(C)=[N]1[Cu]345[O]2[Mn](N=C=O)(N=C=O)[O]2c6ccccc6C(C)=[N]6CCC[N]7=C(C)c8ccccc8[O]3[Cu]267[O]5c2c(C(=[N]4CCC1)C)cccc2
• Title of publication: Synthesis of the first heterometalic star-shaped oxido-bridged MnCu3 complex and its conversion into trinuclear species modulated by pseudohalides (N3(-), NCS- and NCO-): structural analyses and magnetic properties.
• Authors of publication: Biswas, Saptarshi; Naiya, Subrata; Gómez-García, Carlos J; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 462 - 473
• a: 21.153 ± 0.0007 Å
• b: 9.9031 ± 0.0003 Å
• c: 18.0054 ± 0.0006 Å
• α: 90°
• β: 91.833 ± 0.001°
• γ: 90°
• Cell volume: 3769.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No