Information card for entry 7208731

Structure parameters

• Formula: C32 H28 Cl2 N4 Ni
• Calculated formula: C32 H28 Cl2 N4 Ni
• SMILES: [Ni]([n]1cn(c(c1c1ccccc1)c1ccccc1)C)(Cl)(Cl)[n]1cn(c(c1c1ccccc1)c1ccccc1)C
• Title of publication: Supramolecular patterns of cationic and neutral Ni(ii) complexes from the interplay of hydrogen-bonding, stacking interactions and metal-coordination motifs
• Authors of publication: Kounavi, Konstantina A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6492
• a: 17.4689 ± 0.0004 Å
• b: 8.7125 ± 0.0002 Å
• c: 18.7322 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2851 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No