Information card for entry 2311414

Structure parameters

• Chemical name: Bis(<i>N</i>,<i>N</i>'-diisopropylamidinatocarboranate)chloridotin(IV)
• Formula: C18 H49 B20 Cl N4 Sn
• Calculated formula: C18 H49 B20 Cl N4 Sn
• SMILES: [C]12345[C]678([BH]9%102[BH]2%115[BH]5%124[BH]436[BH]367[BH]789[BH]8%102[BH]267[BH]543[BH]%11%1282)[Sn]2([C]3456[C]789(C(=[N]2C(C)C)NC(C)C)[BH]2%103[BH]3%117[BH]7%12%10[BH]%1042[BH]245[BH]569[BH]683[BH]3%11%12[BH]7%102[BH]4563)(Cl)N(C\1=N\C(C)C)C(C)C
• Title of publication: Synthesis and crystal structures of two new tin bis-(carboranylamidinate) complexes.
• Authors of publication: Harmgarth, Nicole; Liebing, Phil; Hillebrand, Philipp; Busse, Sabine; Edelmann, Frank T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1443 - 1448
• a: 11.3063 ± 0.0004 Å
• b: 13.4631 ± 0.0004 Å
• c: 13.7953 ± 0.0004 Å
• α: 97.078 ± 0.002°
• β: 106.572 ± 0.002°
• γ: 113.377 ± 0.002°
• Cell volume: 1779.52 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No