Information card for entry 4313266

Structure parameters

• Formula: C38 H48 Co N10 O18
• Calculated formula: C38 H48 Co N10 O18
• SMILES: [Co]1234([n]5c(ccc6ccc7ccc([n]2c7c56)C(=O)O1)C(=O)[O-])[n]1c(ccc2ccc5ccc([n]3c5c12)C(=O)O4)C(=O)[O-].[nH+]1c(N)cccc1N.O.O.O.[nH+]1c(N)cccc1N.O.O.O.O.O.O.O
• Title of publication: First Anionic 1,10-Phenanthroline-2,9-dicarboxylate Containing Metal Complex Obtained from a Novel 1:1 Proton-Transfer Compound: Synthesis, Characterization, Crystal Structure, and Solution Studies
• Authors of publication: A. Moghimi; R. Alizadeh; A. Shokrollahi; H. Aghabozorg; M. Shamsipur; A. Shockravi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1616 - 1624
• a: 11.877 ± 0.003 Å
• b: 31.473 ± 0.009 Å
• c: 12.915 ± 0.004 Å
• α: 90°
• β: 116.223 ± 0.005°
• γ: 90°
• Cell volume: 4331 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No