Information card for entry 4502966

Structure parameters

• Formula: C32 H30 Cl6 Co N4 O
• Calculated formula: C32 H30 Cl6 Co N4 O
• SMILES: c1[nH]c(c(c2ccccc2)[n]1[Co]([n]1c[nH]c(c1c1ccccc1)c1ccccc1)(Cl)Cl)c1ccccc1.C(Cl)Cl.C(Cl)Cl.O
• 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: 9.3142 ± 0.0007 Å
• b: 12.3652 ± 0.0008 Å
• c: 15.244 ± 0.0007 Å
• α: 83.582 ± 0.005°
• β: 88.587 ± 0.005°
• γ: 82.464 ± 0.006°
• Cell volume: 1729.52 ± 0.19 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: 0.0827
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No