Information card for entry 7025902

Structure parameters

• Formula: C21 H26 B Cl4 N8 Rh Zn
• Calculated formula: C21 H26 B Cl4 N8 Rh Zn
• SMILES: [Rh]1234([n]5n(ccc5)[B]5(n6[n]1ccc6)n1[n]([Zn](Cl)(Cl)[n]6n5ccc6)ccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.ClCCl
• 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: 12.943 ± 0.0019 Å
• b: 19.687 ± 0.003 Å
• c: 12.1521 ± 0.0018 Å
• α: 90°
• β: 117.538 ± 0.011°
• γ: 90°
• Cell volume: 2745.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No