Information card for entry 2013084

Structure parameters

• Chemical name: (acetonitrile-κN)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane- κ^3^N)rhodium(III) tetraphenylborate
• Formula: C37 H50 B N4 Rh
• Calculated formula: C37 H50 B N4 Rh
• SMILES: [Rh]12([N]3(CC[N]1(CC[N]2(CC3)C)C)C)([N]#CC)(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: An organometallic Rh^III^ complex with a distorted octahedral structure: (acetonitrile-κ<i>N</i>)dimethyl(1,4,7-trimethyl-1,4,7-triazacyclononane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')rhodium(III) tetraphenylborate
• Authors of publication: Fooladi, Erik; Dalhus, Bjørn; Rømming, Christian; Tilset, Mats
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: m567 - m569
• a: 14.256 ± 0.0003 Å
• b: 16.6074 ± 0.0003 Å
• c: 14.6189 ± 0.0003 Å
• α: 90°
• β: 92.789 ± 0.001°
• γ: 90°
• Cell volume: 3457 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes