Information card for entry 7700113

Structure parameters

• Formula: C54 H82 N17 Na O25 Yb2
• Calculated formula: C54 H77 N17 Na O25 Yb2
• SMILES: c12cccc3[n]1[Yb]14567([OH2])([N](=C3)[C@@H]3[C@@H]([N]1=Cc1[n]4c(C=[N]5[C@@H]4[C@@H]([N]6=C2)CCCC4)ccc1)CCCC3)[OH][Yb]12345([n]6c8cccc6C=[N]1[C@H]1CCCC[C@@H]1[N]2=Cc1cccc(C=[N]4[C@H]2CCCC[C@@H]2[N]5=C8)[n]31)([OH]7)[OH2].[Na+].O.O.CO.CO.O=N(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes.
• Authors of publication: Starynowicz, Przemysław; Lisowski, Jerzy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8717 - 8724
• a: 14.129 ± 0.003 Å
• b: 15.027 ± 0.003 Å
• c: 16.584 ± 0.003 Å
• α: 90°
• β: 109.97 ± 0.02°
• γ: 90°
• Cell volume: 3309.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No