Information card for entry 4068939

Structure parameters

• Formula: C44 H56 N8 O12 Sn2
• Calculated formula: C44 H56 N8 O12 Sn2
• SMILES: c1(ccccc1)[Sn]123(c4ccccc4)([n]4c(C(=O)O2)cc2[n]4[Sn]4(c5ccccc5)(c5ccccc5)([n]5[n]3c(C(=O)O1)cc5C(=O)O4)(OC2=O)[OH2])[OH2].N(C)(C)C=O.[NH2+](C)C.N(C)(C)C=O.[NH2+](C)C
• Title of publication: Reactions of 3,5-Pyrazoledicarboxylic Acid with Organotin Chlorides and Oxides. Coordination Polymers Containing Organotin Macrocycles
• Authors of publication: Chandrasekhar, Vadapalli; Thirumoorthi, Ramalingam
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2096
• a: 9.4989 ± 0.0007 Å
• b: 16.8578 ± 0.0013 Å
• c: 15.0246 ± 0.0012 Å
• α: 90°
• β: 108.004 ± 0.002°
• γ: 90°
• Cell volume: 2288.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No