Information card for entry 7004223

Structure parameters

• Formula: C54 H60 Dy Mn2 N12 O12 P2 S2
• Calculated formula: C54 H60 Dy Mn2 N12 O12 P2 S2
• SMILES: O(c1c2[O]3[Dy]45678([O]9c%10c(C=[N]%11N(C)P%12(N([N](=Cc2ccc1)[Mn]1379%11[N](N%12C)=Cc2c([O]51)c(OC)ccc2)C)=S)cccc%10OC)[O]1c2c(C=[N]3N(C)P5(N([N]7=Cc9c([O]4[Mn]48137[N](N5C)=Cc1c([O]64)c(OC)ccc1)c(OC)ccc9)C)=S)cccc2OC)C
• 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: 11.283 ± 0.002 Å
• b: 12.031 ± 0.002 Å
• c: 15.939 ± 0.003 Å
• α: 84.55 ± 0.03°
• β: 71.65 ± 0.03°
• γ: 63.83 ± 0.03°
• Cell volume: 1840.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No