Information card for entry 4500578

Structure parameters

• Formula: C31 H27 N3 O5 Zn
• Calculated formula: C31 H27 N3 O5 Zn
• Title of publication: Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer
• Authors of publication: Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1411
• a: 13.507 ± 0.004 Å
• b: 24.837 ± 0.01 Å
• c: 8.406 ± 0.003 Å
• α: 90°
• β: 98.841 ± 0.005°
• γ: 90°
• Cell volume: 2786.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No