Information card for entry 7007541

Structure parameters

• Formula: C18 H22 Br2 N4 Ni
• Calculated formula: C18 H22 Br2 N4 Ni
• SMILES: [Ni]1(Br)(Br)[n]2c(cc(C)n2C(Cc2ccccc2)n2c(cc(C)[n]12)C)C
• Title of publication: Synthesis and 1H NMR studies of paramagnetic nickel(II) complexes containing bis(pyrazolyl)methane ligands with dendritic substituents.
• Authors of publication: Sánchez-Méndez, Alberto; Benito, Jose María; de Jesús, Ernesto; de la Mata, F. Javier; Flores, Juan C.; Gómez, Rafael; Gómez-Sal, Pilar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 45
• Pages of publication: 5379 - 5389
• a: 8.8157 ± 0.001 Å
• b: 16.3175 ± 0.0009 Å
• c: 14.3685 ± 0.0012 Å
• α: 90°
• β: 97.294 ± 0.008°
• γ: 90°
• Cell volume: 2050.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1451
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No