Information card for entry 7029048

Structure parameters

• Formula: C87 H75 Cl2 N7 O12 P4 Sn3
• Calculated formula: C87 H75 Cl2 N7 O12 P4 Sn3
• SMILES: [Sn]1234([OH][Sn]56([OH][Sn]([O]=P(O2)(c2ccccc2)c2ccccc2)([O]=P(O5)(c2ccccc2)c2ccccc2)([OH]4)([O]16)c1c(N=Nc2ccccc2)cccc1)([O]=P(O3)(c1ccccc1)c1ccccc1)c1ccccc1N=Nc1ccccc1)c1c(N=Nc2ccccc2)cccc1.P(=O)([O-])(c1ccccc1)c1ccccc1.ClCCl.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: 10.747 ± 0.005 Å
• b: 15.94 ± 0.005 Å
• c: 26.121 ± 0.005 Å
• α: 102.795 ± 0.005°
• β: 94.468 ± 0.005°
• γ: 108.233 ± 0.005°
• Cell volume: 4092 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No