Information card for entry 7017297

Structure parameters

• Formula: C44 H47 Ca Cl8 N4 O16.5 Sn
• Calculated formula: C44 H40 Ca Cl8 N4 O16.5 Sn
• Title of publication: Synthesis, structure and host-guest properties of (Et(4)N)(2)[Sn(iv)Ca(ii)(chloranilate)(4)], a new type of robust microporous coordination polymer with a 2D square grid structure.
• Authors of publication: Abrahams, Brendan F.; Grannas, Martin J.; Hudson, Timothy A.; Hughes, Steven A.; Pranoto, Naomi H.; Robson, Richard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12242 - 12247
• a: 11.9523 ± 0.0002 Å
• b: 11.9523 ± 0.0002 Å
• c: 20.209 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2887.01 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No