Information card for entry 7017686

Structure parameters

• Formula: C38 H40 Cu2 Mn N10 O4
• Calculated formula: C38 H40 Cu2 Mn N10 O4
• SMILES: C1(c2c(cccc2)O[Cu]23[N]=1CCC[N]2=C(C)c1ccccc1[O]3[Mn](N=N#N)(N=N#N)[O]1c2c(C(=[N]3CCC[N]4=C(c5c(cccc5)O[Cu]134)C)C)cccc2)C
• 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: 22.7481 ± 0.0006 Å
• b: 10.0972 ± 0.0003 Å
• c: 17.6258 ± 0.0005 Å
• α: 90°
• β: 97.242 ± 0.001°
• γ: 90°
• Cell volume: 4016.2 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No