Information card for entry 2311413

Structure parameters

• Chemical name: Bis(<i>N</i>,<i>N</i>'-dicyclohexylamidinatocarboranate)tin(II)
• Formula: C30 H66 B20 N4 Sn
• Calculated formula: C30 H66 B20 N4 Sn
• SMILES: C1(=[N](C2CCCCC2)[Sn]2([C]3456[C]7891[BH]1%103[BH]3%117[BH]7%128[BH]849[BH]49%12[BH]%1237[BH]3%10%11[BH]751[BH]684[BH]9%1237)[C]1345[C]678(C(=[N]2C2CCCCC2)NC2CCCCC2)[BH]291[BH]1%106[BH]6%119[BH]942[BH]245[BH]537[BH]381[BH]1%106[BH]253[BH]%11941)NC1CCCCC1
• 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: 10.9097 ± 0.0003 Å
• b: 12.9481 ± 0.0003 Å
• c: 15.4066 ± 0.0004 Å
• α: 97.78 ± 0.002°
• β: 99.924 ± 0.002°
• γ: 99.003 ± 0.002°
• Cell volume: 2087.68 ± 0.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No