Information card for entry 7018349

Structure parameters

• Common name: 1b
• Formula: C20 H27 Ce N4 O9
• Calculated formula: C20 H27 Ce N4 O9
• SMILES: [Ce]123([O]=C(C)C(=C(O1)C)C#N)(OC(=C(C(=[O]2)C)C#N)C)([O]=C(C)C(=C(O3)C)C#N)([OH2])([OH2])[OH2].N#CC
• Title of publication: Ordered bimetallic coordination networks featuring rare earth and silver cations.
• Authors of publication: Merkens, Carina; Englert, Ulli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4664 - 4673
• a: 11.1998 ± 0.0011 Å
• b: 11.7328 ± 0.0012 Å
• c: 12.3746 ± 0.0013 Å
• α: 62.722 ± 0.0012°
• β: 84.0719 ± 0.0013°
• γ: 64.4427 ± 0.0011°
• Cell volume: 1294.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No