Information card for entry 4068938

Structure parameters

• Formula: C27 H54 K2 N6 O22 Sn4
• Calculated formula: C27 H38 K2 N6 O22 Sn4
• SMILES: c12cc3C(O[Sn]4(n3[n]1[Sn]1(C)([n]3c(C(=O)O4)cc4C(=O)O[Sn]5(n6c(cc7C(=O)O[Sn]([OH]1)(C)([n]67)(n34)C)C(O5)=O)(C)C)(OC2=O)C)(C)C)=O.[K+].O.O.O.O.OCC.O.[K+].O.C(C)O.O
• 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: 12.277 ± 0.003 Å
• b: 22.523 ± 0.005 Å
• c: 17.092 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4726.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No