Information card for entry 2011947

Structure parameters

• Chemical name: [8-(5-iodo-n-hexyl)-5-(pentahapto-pentamethylcyclopentadienyl)- arachno-3-rhoda-7,8-dithia-arachno-undecaborane]
• Formula: C15 H34 B8 I Rh S2
• Calculated formula: C15 H34 B8 I Rh S2
• SMILES: [Rh]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[BH]123[BH]495[BH]5%103[BH]3%112[BH]261[S]8(CCCCCI)[BH]32[BH]15%11[H][BH]9%101[S]74
• Title of publication: Ten-vertex rhodadithiaborane chemistry: [8-{I(CH~2~)~5~}-3-(η^5^-C~5~Me~5~)-<i>arachno</i>-3,7,8-RhS~2~B~8~H~9~]
• Authors of publication: Macías, Ramón; Barrett, Simon A; Bould, Jonathan; Dörfler, Udo; Holub, Josef; Kennedy, John D.; Thornton-Pett, Mark; Bohumil Štíbr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 520 - 522
• a: 28.6498 ± 0.0004 Å
• b: 10.67 ± 0.0002 Å
• c: 18.2997 ± 0.0004 Å
• α: 90°
• β: 121.524 ± 0.001°
• γ: 90°
• Cell volume: 4768.53 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes