Information card for entry 7017688

Structure parameters

• Formula: C40 H40 Cu2 Mn N6 O4 S2
• Calculated formula: C40 H40 Cu2 Mn N6 O4 S2
• SMILES: C1[N]2[Cu]3([N](CC1)=C(c1ccccc1O3)C)[O](c1ccccc1C=2C)[Mn](N=C=S)(N=C=S)[O]1c2ccccc2C(C)=[N]2CCC[N]3=C(c4ccccc4O[Cu]123)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: 23.54 ± 0.005 Å
• b: 10.194 ± 0.005 Å
• c: 17.215 ± 0.005 Å
• α: 90°
• β: 95.494 ± 0.005°
• γ: 90°
• Cell volume: 4112 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No