Information card for entry 4502976

Structure parameters

• Formula: C67 H62 Cl2 N8 O9 Zn
• Calculated formula: C67 H62 Cl2 N8 O9 Zn
• SMILES: [Zn]([n]1cn(c(c1c1ccccc1)c1ccccc1)C)([n]1cn(c(c1c1ccccc1)c1ccccc1)C)([n]1cn(c(c1c1ccccc1)c1ccccc1)C)[n]1cn(c(c1c1ccccc1)c1ccccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=C(C)C
• Title of publication: A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification
• Authors of publication: Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 429
• a: 13.6132 ± 0.0003 Å
• b: 21.9563 ± 0.0004 Å
• c: 22.3675 ± 0.0004 Å
• α: 67.168 ± 0.0018°
• β: 89.2664 ± 0.0015°
• γ: 75.9662 ± 0.0017°
• Cell volume: 5953 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No