Information card for entry 7039949

Structure parameters

• Chemical name: Compound-3a
• Formula: C30 H40.5 Co Gd N6 O26.5 P6
• Calculated formula: C30 H40.5 Co Gd N6 O26.5 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: 25.1648 ± 0.0018 Å
• b: 17.1628 ± 0.0012 Å
• c: 23.0284 ± 0.0018 Å
• α: 90°
• β: 116.436 ± 0.002°
• γ: 90°
• Cell volume: 8905.9 ± 1.1 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No