Information card for entry 7021152

Structure parameters

• Common name: MRK-RS-SndPM
• Formula: C32 H26 Cl2 N4 O2 Sn
• Calculated formula: C32 H26 Cl2 N4 O2 Sn
• SMILES: [Sn]12(Cl)(Cl)([n]3cccc3=C(c3n1ccc3)c1ccc(OC)cc1)[n]1cccc1=C(c1n2ccc1)c1ccc(OC)cc1
• Title of publication: Synthesis and characterization of hexa-coordinated Sn(iv) complexes of meso-aryl dipyrrins.
• Authors of publication: Sharma, Ritambhara; Ghosh, Avijit; Wolfram, Benedikt; Bröring, Martin; Ravikanth, Mangalampalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5627 - 5630
• a: 8.5375 ± 0.0002 Å
• b: 21.9688 ± 0.0004 Å
• c: 17.2218 ± 0.0003 Å
• α: 90°
• β: 115.703 ± 0.002°
• γ: 90°
• Cell volume: 2910.49 ± 0.11 ų
• Cell temperature: 100.1 ± 0.14 K
• Ambient diffraction temperature: 100.1 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No