Information card for entry 7022389

Structure parameters

• Formula: C32 H44 Cu2 Mn N10 O12
• Calculated formula: C32 H44 Cu2 Mn N10 O12
• SMILES: C(C)(C)(C)n1[n]2c(c3[n](cccc3)[Cu]342[O]=C(O[Mn]25([O]=C(O3)C)([O]=C(O[Cu]3([n]6c(c7[n]3cccc7)nnn6C(C)(C)C)([O]=C(O2)C)[O]=C(O5)C)C)OC(=[O]4)C)C)nn1
• Title of publication: 2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes.
• Authors of publication: Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2985 - 2997
• a: 8.5655 ± 0.0004 Å
• b: 9.9404 ± 0.0005 Å
• c: 12.7777 ± 0.0007 Å
• α: 81.761 ± 0.002°
• β: 75.09 ± 0.002°
• γ: 70.822 ± 0.002°
• Cell volume: 990.91 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No