Information card for entry 2206682

Structure parameters

• Chemical name: Tris(1,10-phenanthroline)cobalt(II) triiodide
• Formula: C36 H24 Co I6 N6
• Calculated formula: C36 H24 Co I6 N6
• SMILES: c1ccc2c3[n]1[Co]14([n]5cccc6ccc7ccc[n]1c7c56)([n]1cccc5ccc6c([n]4ccc6)c15)[n]1cccc(cc2)c31.[I-](I)I.[I-](I)I
• Title of publication: Tris(1,10-phenanthroline)cobalt(II) triiodide
• Authors of publication: Tershansy, Meredith A.; Goforth, Andrea M.; Smith, Mark D.; Peterson Jr, LeRoy; Loye, Hans-Conrad zur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1680 - m1681
• a: 10.4187 ± 0.0005 Å
• b: 29.5648 ± 0.0013 Å
• c: 12.9299 ± 0.0006 Å
• α: 90°
• β: 93.395 ± 0.001°
• γ: 90°
• Cell volume: 3975.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0456
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes