Information card for entry 7004221

Structure parameters

• Formula: C54 H60 Eu Mn2 N12 O12 P2 S2
• Calculated formula: C54 H60 Eu Mn2 N12 O12 P2 S2
• SMILES: [Eu]123456789%10([O]%11[Mn]%12%13%14%15[N](N(P(=S)(N([N]%12=Cc%12c([O]2%14)c([O]3C)ccc%12)C)N([N]%13=Cc2c([O]4%15)c([O]5C)ccc2)C)C)=Cc2c%11c([O]1C)ccc2)[O]1[Mn]2345[N](N(P(=S)(N([N]2=Cc2c([O]74)c([O]8C)ccc2)C)N([N]3=Cc2c([O]95)c([O]%10C)ccc2)C)C)=Cc2c1c([O]6C)ccc2
• Title of publication: Synthesis, structure and magnetic properties of linear heterobimetallic trinuclear Mn2Ln (Ln = Eu, Gd, Dy) complexes
• Authors of publication: Chandrasekhar, Vadapalli; Pandian, Balasubramanian Murugesa; Boomishankar, Ramamoorthy; Steiner, Alexander; Clérac, Rodolphe
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 5143 - 5145
• a: 16.54 ± 0.003 Å
• b: 22.512 ± 0.005 Å
• c: 21.72 ± 0.004 Å
• α: 90°
• β: 107.31 ± 0.03°
• γ: 90°
• Cell volume: 7721 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No