Information card for entry 2005566

Structure parameters

• Chemical name: 3-Chloro-3,3-bis(triphenylphosphine)-1,2-dicarba-3-rhoda-closo-dodecaborane 1.1(dichloromethane) solvate
• Formula: C39.1 H43.2 B9 Cl3.2 P2 Rh
• Calculated formula: C38 H41 B9 Cl P2 Rh
• SMILES: [Rh]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[CH]567[CH]891[BH]1%107[BH]7%116[BH]625[BH]254[BH]438[BH]39%10[BH]81%11[BH]762[BH]5438
• Title of publication: 3-Chloro-3,3-bis(triphenylphosphine-<i>P</i>)-1,2-dicarba-3-rhoda-<i>closo</i>-dodecaborane‒ Dichloromethane (1/1.1)
• Authors of publication: Ferguson, G.; McEneaney, P. A.; Spalding, T. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2710 - 2713
• a: 11.568 ± 0.002 Å
• b: 13.156 ± 0.003 Å
• c: 15.387 ± 0.005 Å
• α: 78.54 ± 0.03°
• β: 80.39 ± 0.02°
• γ: 81.39 ± 0.02°
• Cell volume: 2246.3 ± 1 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.1458
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.1219
• Goodness-of-fit parameter for all reflections: 0.852
• Goodness-of-fit parameter for significantly intense reflections: 1.193
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No