Information card for entry 7029047

Structure parameters

• Formula: C70 H97 N7 O13 P4 Sn3
• Calculated formula: C70 H97 N7 O13 P4 Sn3
• SMILES: [Sn]1234([O]=P5(O[Sn]67([O]=P8(O[Sn]([O]=P9(O1)C(C(C9(C)C)C)(C)C)([OH]6)([OH]2)([O]37)c1ccccc1N=Nc1ccccc1)C(C(C8(C)C)C)(C)C)([OH]4)c1ccccc1N=Nc1ccccc1)C(C(C)C5(C)C)(C)C)c1ccccc1N=Nc1ccccc1.P1(=O)([O-])C(C(C)C1(C)C)(C)C.O.N#CC
• Title of publication: Assembly of hexa- and trinuclear monoorganostannoxanes: hemi-labile nature of intramolecular N→Sn coordination in RSnCl3 (R = 2-phenylazophenyl).
• Authors of publication: Metre, Ramesh K.; Mohapatra, Chandrajeet; Sahoo, Dipankar; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3364 - 3371
• a: 25.319 ± 0.005 Å
• b: 14.135 ± 0.005 Å
• c: 44.872 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.512 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 16029 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.109
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No