Information card for entry 7021566

Structure parameters

• Common name: Complex 11
• Formula: C30 H28 B N9 Ni
• Calculated formula: C30 H28 B N9 Ni
• SMILES: Cc1cc(c2ccccc2)[n]2n1[BH]1n3c(C)cc(c4ccccc4)[n]3[Ni]2([n]2c(cc(C)n12)c1ccccc1)N=N#N
• Title of publication: Synthesis and characterization of coordinatively unsaturated nickel(ii) and manganese(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.
• Authors of publication: Abubekerov, Mark; Gianetti, Thomas L.; Kunishita, Atsushi; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10525 - 10532
• a: 11.6788 ± 0.0013 Å
• b: 15.9571 ± 0.0018 Å
• c: 15.433 ± 0.0018 Å
• α: 90°
• β: 98.832 ± 0.002°
• γ: 90°
• Cell volume: 2842 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No