Information card for entry 7127679

Structure parameters

• Formula: C36 H33 Cl2 N7 Ni
• Calculated formula: C36 H33 Cl2 N7 Ni
• SMILES: C1c2cccc([n]2[Ni]23([N]1(Cc1cccc([n]21)Nc1ccccc1)Cc1cccc([n]31)Nc1ccccc1)(Cl)Cl)Nc1ccccc1
• Title of publication: Hydrogen-bonded nickel(I) complexes.
• Authors of publication: Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 753 - 756
• a: 9.3841 ± 0.0004 Å
• b: 24.5577 ± 0.0013 Å
• c: 14.254 ± 0.0007 Å
• α: 90°
• β: 98.5049 ± 0.0017°
• γ: 90°
• Cell volume: 3248.7 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No