Information card for entry 7025897

Structure parameters

• Formula: C27 H30 B Cl2 F6 N8 P Rh2
• Calculated formula: C27 H30 B Cl2 F6 N8 P Rh2
• SMILES: [Rh]1234([n]5n(ccc5)[B]5(n6[n]1ccc6)n1[n]([Rh]678([n]9n5ccc9)[CH]5=[CH]6C6[CH]8=[CH]7C5C6)ccc1)[CH]1=[CH]2C2[CH]4=[CH]3C1C2.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Homo- and heterodinuclear complexes of the tetrakis(pyrazolyl)borate ligand.
• Authors of publication: Hallett, Andrew J.; Adams, Christopher J.; Anderson, Kirsty M.; Baber, R. Angharad; Connelly, Neil G.; Prime, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5899 - 5907
• a: 14.41 ± 0.003 Å
• b: 11.036 ± 0.002 Å
• c: 21.209 ± 0.005 Å
• α: 90°
• β: 108.512 ± 0.004°
• γ: 90°
• Cell volume: 3198.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1288
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No