Information card for entry 4083546

Structure parameters

• Formula: C120 H114 Cl18 Fe6 O18 Sn6
• Calculated formula: C120 H114 Cl18 Fe6 O18 Sn6
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)CCC1=[O][Sn]234([O]5[Sn]67(O1)([O]2[Sn]12(OC(=[O][Sn]89(OC(=[O][Sn]%10%11(OC(=[O][Sn]5(OC(=[O]6)CC[c]56[cH]%12[cH]%13[cH]%14[cH]5[Fe]5%15%16%176%12%13%14[cH]6[cH]5[cH]%15[cH]%16[cH]%176)([O]9%10)([O]7%11)c5ccccc5)CC[c]56[cH]7[cH]9[cH]%10[cH]5[Fe]5%11%12%13679%10[cH]7[cH]5[cH]%11[cH]%12[cH]%137)([O]18)c1ccccc1)CC[c]15[cH]6[cH]7[cH]8[cH]1[Fe]19%10%115678[cH]5[cH]1[cH]9[cH]%10[cH]%115)([O]32)c1ccccc1)CC[c]12[cH]3[cH]5[cH]6[cH]1[Fe]17892356[cH]2[cH]1[cH]7[cH]8[cH]92)([O]=C(O4)CC[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate
• Authors of publication: Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3021
• a: 15.7261 ± 0.0016 Å
• b: 16.627 ± 0.0012 Å
• c: 16.655 ± 0.002 Å
• α: 119.821 ± 0.005°
• β: 117.234 ± 0.006°
• γ: 90.76 ± 0.007°
• Cell volume: 3191.5 ± 0.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No