Information card for entry 4506295

Structure parameters

• Formula: C41 H65 N3 O4 Sn2
• Calculated formula: C41 H65 N3 O4 Sn2
• SMILES: C(=O)(c1cccc(n1)C(=O)O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC.c1cc(ccn1)c1ccncc1
• Title of publication: Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand
• Authors of publication: Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3285
• a: 15.428 ± 0.005 Å
• b: 11.777 ± 0.005 Å
• c: 23.719 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.161 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4255 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No