Information card for entry 7039947

Structure parameters

• Chemical name: Compound-1b
• Formula: C10 H21 N2 Ni O12.5 P2
• Calculated formula: C10 H21 N2 Ni O12.5 P2
• 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: 10.9582 ± 0.0016 Å
• b: 10.0015 ± 0.0011 Å
• c: 18.204 ± 0.002 Å
• α: 90°
• β: 105.491 ± 0.005°
• γ: 90°
• Cell volume: 1922.7 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No