Information card for entry 4089522

Structure parameters

• Formula: C72 H62 Fe4 N4 O10 Sn2
• Calculated formula: C72 H62 Fe4 N4 O10 Sn2
• SMILES: [Sn]1234([O]=C(O1)[c]15[Fe]6789%10%11%12([cH]1[cH]6[cH]7[cH]58)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)([O]=C(O[Sn]15([O]=C(O1)[c]16[cH]7[Fe]89%10%11%12%131([cH]6[cH]8[cH]79)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)([O]=C([c]16[Fe]789%10%11%12%13([cH]1[cH]7[cH]8[cH]69)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)O2)(O3)[N](=Nc1c5cccc1)c1ccccc1)[c]12[Fe]356789%10([cH]1[cH]3[cH]5[cH]26)[cH]1[cH]7[cH]8[cH]9[cH]%101)[N](=Nc1c4cccc1)c1ccccc1.O1CCCC1
• Title of publication: Stabilizing the [RSn(μ2-O)SnR] Motif through Intramolecular N→Sn Coordination. Synthesis and Characterization of [(RSn)2(μ2-O)(μ2-FcCOO)2(η-FcCOO)2]·THF and {(RSn)2(μ2-O)[(t-BuO)2PO2]2Cl2}·THF·2H2O (R = 2-(Phenylazo)phenyl)
• Authors of publication: Chandrasekhar, Vadapalli; Metre, Ramesh K.; Biswas, Sourav
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3419
• a: 10.997 ± 0.005 Å
• b: 11.182 ± 0.004 Å
• c: 25.993 ± 0.005 Å
• α: 93.615 ± 0.005°
• β: 94.052 ± 0.004°
• γ: 98.324 ± 0.005°
• Cell volume: 3146 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.111
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No