Information card for entry 4331036

Structure parameters

• Formula: C35 H43 Cl2 Co3 N4 O15 Tm
• Calculated formula: C35 H43 Cl2 Co3 N4 O15 Tm
• SMILES: [Tm]12345([O]67[Co]89%10([O]1([Co]1([O]%118[Co]86([O]21Cc1[n]8cccc1)([O]=C(O3)C)[n]1ccccc1C%11)([O]=C(O9)C)(OC(=O)C)[OH2])Cc1[n]%10cccc1)[n]1ccccc1C7)(OC(=[O]4)C)[O]=C(O5)C.C(Cl)Cl
• Title of publication: General One-Step Self-Assembly of Isostructural Intermetallic CoII3LnIII Cubane Aggregates
• Authors of publication: Pei Wang; Santiranjan Shannigrahi; Nikolai L. Yakovlev; T. S. Andy Hor
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12059 - 12061
• a: 10.737 ± 0.003 Å
• b: 10.845 ± 0.003 Å
• c: 18.781 ± 0.005 Å
• α: 74.795 ± 0.005°
• β: 87.304 ± 0.005°
• γ: 89.588 ± 0.005°
• Cell volume: 2108 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No