Information card for entry 7013066

Structure parameters

• Formula: C2.5 H2.5 F2 In1.75 N2.5 O9 P2
• Calculated formula: C3 H12 F2 In1.6975 N2.25 O9 P2
• Title of publication: Synthesis and structure of a new three-dimensional indium phosphate with 16-membered one-dimensional channelsElectronic supplementary information (ESI) available: TGA analysis and 1H decoupled 31P MAS NMR spectrum for I. See http://www.rsc.org/suppdata/dt/b3/b303998f/
• Authors of publication: Thirumurugan, A.; Natarajan, Srinivasan
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3387
• a: 19.569 ± 0.005 Å
• b: 9.7034 ± 0.0018 Å
• c: 14.927 ± 0.006 Å
• α: 90°
• β: 119.091 ± 0.014°
• γ: 90°
• Cell volume: 2476.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No