Information card for entry 2311915

Structure parameters

• Chemical name: Bis[bis(2,6-diisopropylphenyl)phosphato-κ<i>O</i>]chloridotetrakis(methanol-κ<i>O</i>)neodymium methanol disolvate
• Formula: C54 H92 Cl Nd O14 P2
• Calculated formula: C54 H92 Cl Nd O14 P2
• SMILES: c1(c(cccc1C(C)C)C(C)C)OP(=O)(O[Nd]([OH]C)([OH]C)(Cl)([OH]C)([OH]C)OP(=O)(Oc1c(C(C)C)cccc1C(C)C)Oc1c(C(C)C)cccc1C(C)C)Oc1c(cccc1C(C)C)C(C)C.OC.CO
• Title of publication: Isomorphous rare-earth bis[bis(2,6-diisopropylphenyl)phosphate] complexes and their self-assembly into two-dimensional frameworks by intramolecular hydrogen bonds.
• Authors of publication: Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Zeynalova, Shadana Sh; Ananyev, Ivan V.; Churakov, Andrei V.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 820 - 827
• a: 16.9491 ± 0.0005 Å
• b: 12.3954 ± 0.0004 Å
• c: 30.5023 ± 0.0009 Å
• α: 90°
• β: 105.11 ± 0.0004°
• γ: 90°
• Cell volume: 6186.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No