Information card for entry 2240915

Structure parameters

• Chemical name: Bis[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] tetranitrate <i>N</i>,<i>N</i>'-(1,4-phenylenedicarbonyl)diglycine monosolvate octahydrate
• Formula: C84 H76 Co2 N18 O26
• Calculated formula: C84 H76 Co2 N18 O26
• SMILES: c1c2c3[n]([Co]45([n]6cccc(c36)cc2)([n]2cccc3ccc6ccc[n]4c6c23)[n]2cccc3ccc4ccc[n]5c4c23)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O=C(NCC(=O)O)c1ccc(cc1)C(=O)NCC(=O)O.O.O.O.O.c1ccc2ccc3ccc[n]4[Co]56([n]1c2c34)([n]1cccc2ccc3ccc[n]5c3c12)[n]1cccc2ccc3ccc[n]6c3c12.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
• Title of publication: Crystal structure of bis[tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] tetranitrate <i>N</i>,<i>N</i>'-(1,4-phenylenedicarbonyl)diglycine solvate octahydrate
• Authors of publication: Pook, Niels-Patrick; Hentrich, Philipp; Gjikaj, Mimoza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: 910 - 914
• a: 10.6663 ± 0.0018 Å
• b: 14.314 ± 0.002 Å
• c: 14.573 ± 0.003 Å
• α: 85.403 ± 0.013°
• β: 73.421 ± 0.014°
• γ: 82.02 ± 0.012°
• Cell volume: 2109.9 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1378
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes