Information card for entry 2008475

Structure parameters

• Chemical name: trans-chlorohydridobis(1,2-bis(diphenylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane solvate
• Formula: C65 H59 B Cl3 O4 P4 Rh
• Calculated formula: C65 H59 B Cl3 O4 P4 Rh
• SMILES: [RhH]12(Cl)([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.[B-]12(Oc3c(O1)cccc3)Oc1c(O2)cccc1.C(Cl)Cl
• Title of publication: Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations
• Authors of publication: Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 733 - 739
• a: 12.5401 ± 0.0008 Å
• b: 13.5374 ± 0.0009 Å
• c: 16.931 ± 0.0011 Å
• α: 91.937 ± 0.002°
• β: 97.051 ± 0.002°
• γ: 90.121 ± 0.002°
• Cell volume: 2850.8 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No