Information card for entry 4502969

Structure parameters

• Formula: C30 H24 Co N6 O6
• Calculated formula: C30 H24 Co N6 O6
• SMILES: c1[nH]c(c(c2ccccc2)[n]1[Co]([n]1c[nH]c(c1c1ccccc1)c1ccccc1)(ON(=O)=O)ON(=O)=O)c1ccccc1
• 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: 12.1557 ± 0.0004 Å
• b: 16.6468 ± 0.0005 Å
• c: 13.5929 ± 0.0004 Å
• α: 90°
• β: 94.219 ± 0.003°
• γ: 90°
• Cell volume: 2743.12 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No