Information card for entry 7025903

Structure parameters

• Formula: C22 H27 B Cl2 N9 Pd Rh
• Calculated formula: C22 H27 B Cl2 N9 Pd Rh
• SMILES: [Pd]1(Cl)(Cl)[n]2n(ccc2)[B]2(n3[n]([Rh]456([n]7n2ccc7)[CH]2=[CH]4CC[CH]6=[CH]5CC2)ccc3)n2[n]1ccc2.N#CC
• 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: 9.5842 ± 0.0011 Å
• b: 11.8561 ± 0.0013 Å
• c: 12.6161 ± 0.0014 Å
• α: 73.114 ± 0.002°
• β: 86.102 ± 0.002°
• γ: 74.047 ± 0.002°
• Cell volume: 1318.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No