Information card for entry 2008476

Structure parameters

• Chemical name: trans-chlorohydridobis(1,2-bis(dicyclohexylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane tetrasolvate
• Formula: C68 H113 B Cl9 O4 P4 Rh
• Calculated formula: C68 H113 B Cl9 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.C(Cl)Cl.C(Cl)Cl.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: 13.932 ± 0.0008 Å
• b: 21.2938 ± 0.001 Å
• c: 25.5613 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7583.1 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.381
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No