Information card for entry 7039952

Structure parameters

• Chemical name: Compound-4
• Formula: C30 H34 Cl Gd N6 Na Ni O27 P6
• Calculated formula: C30 H34 Cl Gd N6 Na Ni O27 P6
• Title of publication: Functionalized phosphonates as building units for multi-dimensional homo- and heterometallic 3d-4f inorganic-organic hybrid-materials.
• Authors of publication: Köhler, C; Rentschler, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12854 - 12861
• a: 22.6611 ± 0.0011 Å
• b: 16.9747 ± 0.0008 Å
• c: 15.2845 ± 0.0007 Å
• α: 90°
• β: 106.794 ± 0.002°
• γ: 90°
• Cell volume: 5628.7 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 9
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No