Information card for entry 7021562

Structure parameters

• Common name: Complex 3
• Formula: C37 H35 B Mn N6
• Calculated formula: C37 H35 B Mn N6
• SMILES: C(c1ccccc1)[Mn]12[n]3c(cc(C)n3[BH](n3c(C)cc(c4ccccc4)[n]13)n1c(C)cc(c3ccccc3)[n]21)c1ccccc1
• 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: 22.9501 ± 0.0008 Å
• b: 12.0224 ± 0.0004 Å
• c: 24.0508 ± 0.0008 Å
• α: 90°
• β: 107.811 ± 0.001°
• γ: 90°
• Cell volume: 6317.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No