Information card for entry 4300953

Structure parameters

• Formula: C40 H36 Dy N3 O13 P3
• Calculated formula: C40 H36 Dy N3 O13 P3
• SMILES: [Dy]1234([O]=P(CCP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(CCP(=[O][Dy]1567([O]=P(CCP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=N(=O)O5)(ON(=[O]6)=O)ON(=[O]7)=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(ON(=[O]2)=O)([O]=N(O3)=O)ON(=[O]4)=O.CO.CO
• Title of publication: From Parquets to Bricks: A Series of Lanthanide Coordination Polymers with Bis(diphenylphosphino)ethane Dioxide
• Authors of publication: Zdenek Spichal; Marek Necas; Jiri Pinkas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2074 - 2080
• a: 10.8632 ± 0.0009 Å
• b: 19.1127 ± 0.0013 Å
• c: 21.658 ± 0.0017 Å
• α: 103.292 ± 0.007°
• β: 101.748 ± 0.007°
• γ: 91.687 ± 0.006°
• Cell volume: 4270.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No